7KMH
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![BU of 7kmh by Molmil](/molmil-images/mine/7kmh) | LY-CoV488 neutralizing antibody against SARS-CoV-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV488 Fab heavy chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Boyles, J.S, Dickinson, C.D, Coleman, K.A. | Deposit date: | 2020-11-02 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates. Sci Transl Med, 13, 2021
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6GPL
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![BU of 6gpl by Molmil](/molmil-images/mine/6gpl) | Crystal structure of human GDP-D-mannose 4,6-dehydratase in complex with GDP-4k6d-Man | Descriptor: | 1,2-ETHANEDIOL, BICINE, GDP-mannose 4,6 dehydratase, ... | Authors: | Pfeiffer, M, Krojer, T, Johansson, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2018-06-06 | Release date: | 2018-07-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase. Acs Catalysis, 9, 2019
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7MX9
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6ELY
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![BU of 6ely by Molmil](/molmil-images/mine/6ely) | Crystal Structure of Mistletoe Lectin I (ML-I) from Viscum album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-N-Furfurylcytosine, ... | Authors: | Ahmad, M.S, Rasheed, S, Falke, S, Khaliq, B, Perbandt, M, Choudhary, M.I, Markiewicz, W.T, Barciszewski, J, Betzel, C. | Deposit date: | 2017-09-30 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Crystal Structure of Mistletoe Lectin I (ML-I) from Viscum album in Complex with 4-N-Furfurylcytosine at 2.85 angstrom Resolution. Med Chem, 14, 2018
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6AGF
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![BU of 6agf by Molmil](/molmil-images/mine/6agf) | Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta1 | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pan, X.J, li, Z.Q, Zhou, Q, Shen, H.Z, Wu, K, Huang, X.S, Chen, J.F, Zhang, J.R, Zhu, X.C, Lei, J.L, Xiong, W, Gong, H.P, Xiao, B.L, Yan, N. | Deposit date: | 2018-08-11 | Release date: | 2018-10-10 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta 1. Science, 362, 2018
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1BAR
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![BU of 1bar by Molmil](/molmil-images/mine/1bar) | THREE-DIMENSIONAL STRUCTURES OF ACIDIC AND BASIC FIBROBLAST GROWTH FACTORS | Descriptor: | ACIDIC FIBROBLAST GROWTH FACTOR | Authors: | Zhu, X, Komiya, H, Chirino, A, Faham, S, Fox, G.M, Arakawa, T, Hsu, B.T, Rees, D.C. | Deposit date: | 1992-09-29 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Three-dimensional structures of acidic and basic fibroblast growth factors. Science, 251, 1991
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5IPP
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7L5D
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![BU of 7l5d by Molmil](/molmil-images/mine/7l5d) | The crystal structure of SARS-CoV-2 Main Protease in complex with demethylated analog of masitinib | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Tan, K, Maltseva, N.I, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-21 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2. Science, 373, 2021
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6EMH
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![BU of 6emh by Molmil](/molmil-images/mine/6emh) | Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine, BETA-MERCAPTOETHANOL, ... | Authors: | Macedo, J.T, Stehle, T, Blaum, B.S. | Deposit date: | 2017-10-02 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3. ACS Omega, 3, 2018
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7B06
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![BU of 7b06 by Molmil](/molmil-images/mine/7b06) | TgoT_RT521 apo | Descriptor: | DNA polymerase | Authors: | Samson, C, Legrand, P, Tekpinar, M, Rozenski, J, Abramov, M, Holliger, P, Pinheiro, V, Herdewijn, P, Delarue, M. | Deposit date: | 2020-11-18 | Release date: | 2020-12-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.349 Å) | Cite: | Structural Studies of HNA Substrate Specificity in Mutants of an Archaeal DNA Polymerase Obtained by Directed Evolution. Biomolecules, 10, 2020
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7Q1Q
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![BU of 7q1q by Molmil](/molmil-images/mine/7q1q) | De novo designed homo-dimeric antiparallel helices Homomer-S | Descriptor: | ACETATE ION, Homomer-S | Authors: | Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B. | Deposit date: | 2021-10-20 | Release date: | 2022-07-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | De novo designed peptides for cellular delivery and subcellular localisation. Nat.Chem.Biol., 18, 2022
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5EK4
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![BU of 5ek4 by Molmil](/molmil-images/mine/5ek4) | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | Descriptor: | (1~{R})-1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wu, S.Y, Peng, Y.H, Wu, J.S. | Deposit date: | 2015-11-03 | Release date: | 2015-12-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1 J.Med.Chem., 59, 2016
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7PGQ
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![BU of 7pgq by Molmil](/molmil-images/mine/7pgq) | GAP-SecPH region of human neurofibromin isoform 2 in closed conformation. | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, Neurofibromin, ZINC ION | Authors: | Naschberger, A, Baradaran, R, Carroni, M, Rupp, B. | Deposit date: | 2021-08-15 | Release date: | 2022-10-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | The structure of neurofibromin isoform 2 reveals different functional states. Nature, 599, 2021
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6SDV
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![BU of 6sdv by Molmil](/molmil-images/mine/6sdv) | W-formate dehydrogenase from Desulfovibrio vulgaris - Formate reduced form | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, Formate dehydrogenase, ... | Authors: | Oliveira, A.R, Mota, C, Mourato, C, Domingos, R.M, Santos, M.F.A, Gesto, D, Guigliarelli, B, Santos-Silva, T, Romao, M.J, Pereira, I.C. | Deposit date: | 2019-07-29 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Towards the mechanistic understanding of enzymatic CO2 reduction Acs Catalysis, 2020
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6GZA
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![BU of 6gza by Molmil](/molmil-images/mine/6gza) | Structure of murine leukemia virus capsid C-terminal domain | Descriptor: | COBALT (II) ION, Capsid protein | Authors: | Qu, K, Dolezal, M, Schur, F.K.M, Murciano, B, Rumlova, M, Ruml, T, Briggs, J.A.G. | Deposit date: | 2018-07-03 | Release date: | 2018-12-05 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure and architecture of immature and mature murine leukemia virus capsids. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8CU6
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![BU of 8cu6 by Molmil](/molmil-images/mine/8cu6) | Crystal structure of A2AAR-StaR2-S277-bRIL in complex with a novel A2a antagonist, LJ-4517 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ... | Authors: | Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V. | Deposit date: | 2022-05-16 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor. J.Med.Chem., 65, 2022
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5IAR
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![BU of 5iar by Molmil](/molmil-images/mine/5iar) | Caspase 3 V266W | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASK, Caspase-3, ... | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | Deposit date: | 2016-02-21 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5EK9
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![BU of 5ek9 by Molmil](/molmil-images/mine/5ek9) | Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline inhibitor | Descriptor: | Bromodomain-containing protein 2, propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate | Authors: | Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Picaud, S, Fedorov, O, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-03 | Release date: | 2016-11-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors. Bioorg. Med. Chem., 26, 2018
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5IDF
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![BU of 5idf by Molmil](/molmil-images/mine/5idf) | Cryo-EM structure of GluA2/3 AMPA receptor heterotetramer (model II) | Descriptor: | Glutamate receptor 2, Glutamate receptor 3 | Authors: | Herguedas, B, Garcia-Nafria, J, Fernandez-Leiro, R, Greger, I.H. | Deposit date: | 2016-02-24 | Release date: | 2016-03-16 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (10.31 Å) | Cite: | Structure and organization of heteromeric AMPA-type glutamate receptors. Science, 352, 2016
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6S99
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![BU of 6s99 by Molmil](/molmil-images/mine/6s99) | Dimethylated fusion protein of RSL and trimeric coiled coil in complex with cucurbit[7]uril | Descriptor: | 4dzn-RSL,Fucose-binding lectin protein,Fucose-binding lectin protein, beta-D-mannopyranose, cucurbit[7]uril | Authors: | Ramberg, K, Engilberge, S, Crowley, P.B. | Deposit date: | 2019-07-11 | Release date: | 2020-08-26 | Last modified: | 2022-12-07 | Method: | X-RAY DIFFRACTION (2.649 Å) | Cite: | Segregated Protein-Cucurbit[7]uril Crystalline Architectures via Modulatory Peptide Tectons. Chemistry, 2021
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8CU7
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![BU of 8cu7 by Molmil](/molmil-images/mine/8cu7) | Crystal structure of A2AAR-StaR2-bRIL in complex with a novel A2a antagonist, LJ-4517 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ... | Authors: | Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V. | Deposit date: | 2022-05-16 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor. J.Med.Chem., 65, 2022
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8HY6
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![BU of 8hy6 by Molmil](/molmil-images/mine/8hy6) | Crystal structure of B1 NDM-1 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid | Descriptor: | 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | Authors: | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | Deposit date: | 2023-01-05 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding. J.Med.Chem., 66, 2023
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6Y18
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![BU of 6y18 by Molmil](/molmil-images/mine/6y18) | Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 3 | Descriptor: | 14-3-3 protein sigma, 4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ... | Authors: | Somsen, B.A, Ottmann, C. | Deposit date: | 2020-02-11 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers. Acs Chem.Biol., 15, 2020
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2RTR
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![BU of 2rtr by Molmil](/molmil-images/mine/2rtr) | STREPTAVIDIN-2-IMINOBIOTIN COMPLEX, PH 4.0, SPACE GROUP I222 | Descriptor: | 2-IMINOBIOTIN, STREPTAVIDIN | Authors: | Katz, B.A. | Deposit date: | 1997-09-11 | Release date: | 1998-10-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH. J.Mol.Biol., 274, 1997
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6PRN
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![BU of 6prn by Molmil](/molmil-images/mine/6prn) | E1M, K50A, R52A MUTANT OF RH. BLASTICA PORIN | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, PORIN | Authors: | Maveyraud, L, Schmid, B, Schulz, G.E. | Deposit date: | 1998-06-12 | Release date: | 1998-08-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Porin mutants with new channel properties. Protein Sci., 7, 1998
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