5LZM
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![BU of 5lzm by Molmil](/molmil-images/mine/5lzm) | COMPARISON OF THE CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 LYSOZYME AT LOW, MEDIUM, AND HIGH IONIC STRENGTHS | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME | Authors: | Bell, J.A, Wilson, K, Zhang, X.-J, Faber, H.R, Nicholson, H, Matthews, B.W. | Deposit date: | 1991-01-25 | Release date: | 1992-07-15 | Last modified: | 2021-06-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Comparison of the crystal structure of bacteriophage T4 lysozyme at low, medium, and high ionic strengths. Proteins, 10, 1991
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1HD4
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![BU of 1hd4 by Molmil](/molmil-images/mine/1hd4) | SOLUTION STRUCTURE OF THE A-SUBUNIT OF HUMAN CHORIONIC GONADOTROPIN [MODELED WITH DIANTENNARY GLYCAN AT ASN78] | Descriptor: | CHORIONIC GONADOTROPIN, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Erbel, P.J.A, Karimi-Nejad, Y, van Kuik, J.A, Boelens, R, Kamerling, J.P, Vliegenthart, J.F.G. | Deposit date: | 2000-11-07 | Release date: | 2000-12-07 | Last modified: | 2020-07-29 | Method: | SOLUTION NMR | Cite: | Effects of the N-Linked Glycans on the 3D Structure of the Free A-Subunit of Human Chorionic Gonadotropin Biochemistry, 39, 2000
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4P5J
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![BU of 4p5j by Molmil](/molmil-images/mine/4p5j) | Crystal structure of the tRNA-like structure from Turnip Yellow Mosaic Virus (TYMV), a tRNA mimicking RNA | Descriptor: | IRIDIUM HEXAMMINE ION, MAGNESIUM ION, SPERMINE, ... | Authors: | Colussi, T.M, Costantino, D.A, Hammond, J.A, Ruehle, G.M, Nix, J.C, Kieft, J.S. | Deposit date: | 2014-03-17 | Release date: | 2014-06-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9912 Å) | Cite: | The structural basis of transfer RNA mimicry and conformational plasticity by a viral RNA. Nature, 511, 2014
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6DL2
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![BU of 6dl2 by Molmil](/molmil-images/mine/6dl2) | BRD4 bromodomain 1 in complex with HYB157 | Descriptor: | 1,2-ETHANEDIOL, 3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine, Bromodomain-containing protein 4 | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2018-05-31 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Discovery of QCA570 as an Exceptionally Potent and Efficacious Proteolysis Targeting Chimera (PROTAC) Degrader of the Bromodomain and Extra-Terminal (BET) Proteins Capable of Inducing Complete and Durable Tumor Regression. J. Med. Chem., 61, 2018
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6E1A
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![BU of 6e1a by Molmil](/molmil-images/mine/6e1a) | Menin bound to M-89 | Descriptor: | (1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate, Menin, praseodymium triacetate | Authors: | Stuckey, J.A. | Deposit date: | 2018-07-09 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure-Based Discovery of M-89 as a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein-Protein Interaction. J.Med.Chem., 62, 2019
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6EK6
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![BU of 6ek6 by Molmil](/molmil-images/mine/6ek6) | Crystal structure of KDM5B in complex with S49195a. | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ... | Authors: | Srikannathasan, V, Szykowska, A, Newman, J.A, Ruda, G.F, Strain-Damerell, C, Burgess-Brown, N.A, Vazquez-Rodriguez, S, Wright, M, Brennan, P.E, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | Deposit date: | 2017-09-25 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of KDM5B in complex with S49195a. To be published
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6EJ1
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![BU of 6ej1 by Molmil](/molmil-images/mine/6ej1) | Crystal structure of KDM5B in complex with KDOPZ48a. | Descriptor: | 1,2-ETHANEDIOL, 5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | Deposit date: | 2017-09-19 | Release date: | 2018-05-02 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Crystal structure of KDM5B in complex with KDOPZ48a. to be published
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7KW3
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![BU of 7kw3 by Molmil](/molmil-images/mine/7kw3) | Non Ribosomal PCP domain | Descriptor: | PCP domain, SULFATE ION | Authors: | Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J. | Deposit date: | 2020-11-29 | Release date: | 2021-03-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity. Nat Commun, 12, 2021
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7KVW
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![BU of 7kvw by Molmil](/molmil-images/mine/7kvw) | Non-ribosomal didomain (holo-PCP-C) acceptor bound state | Descriptor: | 4'-PHOSPHOPANTETHEINE, PCP-C didomain | Authors: | Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J. | Deposit date: | 2020-11-29 | Release date: | 2021-03-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity. Nat Commun, 12, 2021
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7KW2
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![BU of 7kw2 by Molmil](/molmil-images/mine/7kw2) | Non-ribosomal didomain (holo-PCP-C) acceptor bound state, R2577G | Descriptor: | 4'-PHOSPHOPANTETHEINE, PCP-C didomain | Authors: | Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J. | Deposit date: | 2020-11-29 | Release date: | 2021-03-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity. Nat Commun, 12, 2021
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7KW0
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![BU of 7kw0 by Molmil](/molmil-images/mine/7kw0) | Non-ribosomal didomain (stabilised glycine-PCP-C) acceptor bound state | Descriptor: | N-{2-[(2-aminoethyl)sulfanyl]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, PCP-C didomain | Authors: | Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J. | Deposit date: | 2020-11-29 | Release date: | 2021-03-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity. Nat Commun, 12, 2021
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1E9J
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![BU of 1e9j by Molmil](/molmil-images/mine/1e9j) | SOLUTION STRUCTURE OF THE A-SUBUNIT OF HUMAN CHORIONIC GONADOTROPIN [INCLUDING A SINGLE GLCNAC RESIDUE AT ASN52 AND ASN78] | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHORIONIC GONADOTROPIN | Authors: | Erbel, P.J.A, Karimi-Nejad, Y, van Kuik, J.A, Boelens, R, Kamerling, J.P, Vliegenthart, J.F.G. | Deposit date: | 2000-10-18 | Release date: | 2002-07-25 | Last modified: | 2020-07-29 | Method: | SOLUTION NMR | Cite: | Effects of the N-linked glycans on the 3D structure of the free alpha-subunit of human chorionic gonadotropin. Biochemistry, 39, 2000
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7Z5C
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![BU of 7z5c by Molmil](/molmil-images/mine/7z5c) | Chimera of AP2 with FCHO2 linker domain as a fusion on Cmu2 subunit | Descriptor: | AP-2 complex subunit alpha-2, AP-2 complex subunit beta, AP-2 complex subunit mu, ... | Authors: | Kane Dickson, V, Qu, K, Owen, D.J, Briggs, J.A, Zaccai, N.R. | Deposit date: | 2022-03-09 | Release date: | 2022-05-11 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (4.16 Å) | Cite: | FCHO controls AP2's initiating role in endocytosis through a PtdIns(4,5)P 2 -dependent switch. Sci Adv, 8, 2022
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5HJX
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![BU of 5hjx by Molmil](/molmil-images/mine/5hjx) | Structure function studies of R. palustris RubisCO (A47V mutant; CABP-bound) | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase | Authors: | Arbing, M.A, Shin, A, Satagopan, S, North, J.A, Tabita, F.R. | Deposit date: | 2016-01-13 | Release date: | 2017-01-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Structure function studies of R. palustris RubisCO. To Be Published
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5HQL
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![BU of 5hql by Molmil](/molmil-images/mine/5hql) | Structure function studies of R. palustris RubisCO (A47V-M331A mutant; CABP-bound; no expression tag) | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase | Authors: | Arbing, M.A, Shin, A, Cascio, D, Satagopan, S, North, J.A, Tabita, F.R. | Deposit date: | 2016-01-21 | Release date: | 2017-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structure function studies of R. palustris RubisCO To Be Published
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7N1S
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![BU of 7n1s by Molmil](/molmil-images/mine/7n1s) | Crystal Structure Analysis of Xac Nucleotide Pyrophosphatase/Phosphodiesterase | Descriptor: | Phosphodiesterase-nucleotide pyrophosphatase, TETRAETHYLENE GLYCOL, ZINC ION | Authors: | Fernandez, D, Li, L, Brown, J.A, Carozza, J.A. | Deposit date: | 2021-05-28 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | ENPP1's regulation of extracellular cGAMP is a ubiquitous mechanism of attenuating STING signaling. Proc.Natl.Acad.Sci.USA, 119, 2022
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5I95
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![BU of 5i95 by Molmil](/molmil-images/mine/5i95) | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid | Descriptor: | 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ... | Authors: | Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | Deposit date: | 2016-02-19 | Release date: | 2017-03-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations. Cancer Discov, 7, 2017
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5I96
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![BU of 5i96 by Molmil](/molmil-images/mine/5i96) | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor. | Descriptor: | 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol, ACETATE ION, CALCIUM ION, ... | Authors: | Wei, W, Zhang, B, Jin, L, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | Deposit date: | 2016-02-19 | Release date: | 2017-03-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations. Cancer Discov, 7, 2017
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2VPT
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![BU of 2vpt by Molmil](/molmil-images/mine/2vpt) | Clostridium thermocellum family 3 carbohydrate esterase | Descriptor: | CALCIUM ION, LIPOLYTIC ENZYME | Authors: | Correia, M.A.S, Prates, J.A.M, Bras, J, Fontes, C.M.G.A, Newman, J.A, Lewis, R.J, Gilbert, H.J, Flint, J.E. | Deposit date: | 2008-03-04 | Release date: | 2008-05-06 | Last modified: | 2012-01-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structure of a Cellulosomal Family 3 Carbohydrate Esterase from Clostridium Thermocellum Provides Insights Into the Mechanism of Substrate Recognition J.Mol.Biol., 379, 2008
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3ZSO
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![BU of 3zso by Molmil](/molmil-images/mine/3zso) | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based design | Descriptor: | 5-{[(2-{[bis(4-methoxyphenyl)methyl]carbamoyl}benzyl)(prop-2-en-1-yl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, INTEGRASE, ... | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Deadman, J.J, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L. | Deposit date: | 2011-06-30 | Release date: | 2012-07-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design. Plos One, 7, 2012
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5A6R
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![BU of 5a6r by Molmil](/molmil-images/mine/5a6r) | Crystal structure of the BTB domain of human KCTD17 | Descriptor: | BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD17 | Authors: | Pinkas, D.M, Sorrell, F, Sanvitale, C.E, Goubin, S, Williams, E, Newman, J.A, Pearce, N.M, Neshich, I, Pike, A.C.W, MacKenzie, A, Quigley, A, Faust, B, Carpenter, E.P, Tallant, C, Kopec, J, Chalk, R, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2015-06-30 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases. Biochem. J., 474, 2017
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5KZQ
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![BU of 5kzq by Molmil](/molmil-images/mine/5kzq) | Metabotropic Glutamate Receptor in complex with antagonist (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid | Descriptor: | (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2 | Authors: | Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P. | Deposit date: | 2016-07-25 | Release date: | 2016-12-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity. J. Med. Chem., 59, 2016
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8FE5
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![BU of 8fe5 by Molmil](/molmil-images/mine/8fe5) | Structure of J-PKAc chimera complexed with Aplithianine B | Descriptor: | 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | Deposit date: | 2022-12-05 | Release date: | 2023-10-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases. J.Nat.Prod., 86, 2023
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7S9Z
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![BU of 7s9z by Molmil](/molmil-images/mine/7s9z) | Helicobacter Hepaticus CcsBA Closed Conformation | Descriptor: | Cytochrome c biogenesis protein, HEME B/C, PHOSPHATIDYLETHANOLAMINE | Authors: | Mendez, D.L, Lowder, E.P, Tillman, D.E, Sutherland, M.C, Collier, A.L, Rau, M.J, Fitzpatrick, J.A, Kranz, R.G. | Deposit date: | 2021-09-21 | Release date: | 2021-12-22 | Last modified: | 2022-01-12 | Method: | ELECTRON MICROSCOPY (4.14 Å) | Cite: | Cryo-EM of CcsBA reveals the basis for cytochrome c biogenesis and heme transport. Nat.Chem.Biol., 18, 2022
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7S9Y
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![BU of 7s9y by Molmil](/molmil-images/mine/7s9y) | Helicobacter Hepaticus CcsBA Open Conformation | Descriptor: | Cytochrome c biogenesis protein, HEME B/C, PHOSPHATIDYLETHANOLAMINE | Authors: | Mendez, D.L, Lowder, E.P, Tillman, D.E, Sutherland, M.C, Collier, A.L, Rau, M.J, Fitzpatrick, J.A, Kranz, R.G. | Deposit date: | 2021-09-21 | Release date: | 2021-12-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.56 Å) | Cite: | Cryo-EM of CcsBA reveals the basis for cytochrome c biogenesis and heme transport. Nat.Chem.Biol., 18, 2022
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