7ZUD
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![BU of 7zud by Molmil](/molmil-images/mine/7zud) | Crystal structure of HIV-1 capsid IP6-CPSF6 complex | Descriptor: | Capsid protein p24, Cleavage and polyadenylation specificity factor subunit 6, INOSITOL HEXAKISPHOSPHATE | Authors: | Nicastro, G, Taylor, I.A. | Deposit date: | 2022-05-12 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | CP-MAS and Solution NMR Studies of Allosteric Communication in CA-assemblies of HIV-1. J.Mol.Biol., 434, 2022
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6ARX
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![BU of 6arx by Molmil](/molmil-images/mine/6arx) | Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector Anopheles gambiae in the ligand-free state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, CHLORIDE ION, ... | Authors: | Cheung, J, Mahmood, A, Kalathur, R, Lixuan, L, Carlier, P.R. | Deposit date: | 2017-08-23 | Release date: | 2018-01-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Structure of the G119S Mutant Acetylcholinesterase of the Malaria Vector Anopheles gambiae Reveals Basis of Insecticide Resistance. Structure, 26, 2018
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2UV0
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![BU of 2uv0 by Molmil](/molmil-images/mine/2uv0) | Structure of the P. aeruginosa LasR ligand-binding domain bound to its autoinducer | Descriptor: | N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE, TRANSCRIPTIONAL ACTIVATOR PROTEIN LASR | Authors: | Bottomley, M.J, Muraglia, E, Bazzo, R, Carfi, A. | Deposit date: | 2007-03-08 | Release date: | 2007-03-27 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular Insights Into Quorum Sensing in the Human Pathogen Pseudomonas Aeruginosa from the Structure of the Virulence Regulator Lasr Bound to its Autoinducer. J.Biol.Chem., 282, 2007
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2QNY
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![BU of 2qny by Molmil](/molmil-images/mine/2qny) | Crystal structure of the complex between the A246F mutant of mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and SS-(2-hydroxyethyl) O-decyl ester carbono(dithioperoxoic) acid | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, BETA-MERCAPTOETHANOL, DECYL FORMATE | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | Deposit date: | 2007-07-19 | Release date: | 2008-05-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH Chem.Biol., 15, 2008
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4M4U
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![BU of 4m4u by Molmil](/molmil-images/mine/4m4u) | |
1I57
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![BU of 1i57 by Molmil](/molmil-images/mine/1i57) | CRYSTAL STRUCTURE OF APO HUMAN PTP1B (C215S) MUTANT | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PHOSPHO-TYROSINE PHOSPHATASE 1B | Authors: | Scapin, G, Patel, S, Patel, V, Kennedy, B, Asante-Appiah, E. | Deposit date: | 2001-02-26 | Release date: | 2001-08-08 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure of apo protein-tyrosine phosphatase 1B C215S mutant: more than just an S --> O change. Protein Sci., 10, 2001
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6KNR
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![BU of 6knr by Molmil](/molmil-images/mine/6knr) | Crystal structure of Estrogen-related receptor gamma ligand-binding domain with DN200699 | Descriptor: | (E)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol, Estrogen-related receptor gamma | Authors: | Yoon, H, Kim, J, Chin, J, Song, J, Cho, S.J. | Deposit date: | 2019-08-07 | Release date: | 2020-08-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | An orally available inverse agonist of estrogen-related receptor gamma showed expanded efficacy for the radioiodine therapy of poorly differentiated thyroid cancer. Eur.J.Med.Chem., 205, 2020
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1IX4
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![BU of 1ix4 by Molmil](/molmil-images/mine/1ix4) | Crystal Structure of Rat Heme Oxygenase-1 in complex with Heme bound to Carbon Monoxide | Descriptor: | CARBON MONOXIDE, HEME OXYGENASE-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sugishima, M, Sakamoto, H, Omata, Y, Hayashi, S, Noguchi, M, Fukuyama, K. | Deposit date: | 2002-06-10 | Release date: | 2003-09-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Ferrous and CO-, CN(-)-, and NO-Bound Forms of Rat Heme Oxygenase-1 (HO-1) in Complex with Heme: Structural Implications for Discrimination between CO and O(2) in HO-1. Biochemistry, 42, 2003
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8ABP
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1IX3
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![BU of 1ix3 by Molmil](/molmil-images/mine/1ix3) | Crystal Structure of Rat Heme Oxygenase-1 in complex with Heme bound to Cyanide | Descriptor: | CYANIDE ION, HEME OXYGENASE-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sugishima, M, Sakamoto, H, Omata, Y, Hayashi, S, Noguchi, M, Fukuyama, K. | Deposit date: | 2002-06-10 | Release date: | 2003-09-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Ferrous and CO-, CN(-)-, and NO-Bound Forms of Rat Heme Oxygenase-1 (HO-1) in Complex with Heme: Structural Implications for Discrimination between CO and O(2) in HO-1. Biochemistry, 42, 2003
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2FY4
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![BU of 2fy4 by Molmil](/molmil-images/mine/2fy4) | |
3D5F
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![BU of 3d5f by Molmil](/molmil-images/mine/3d5f) | Crystal Structure of PPAR-delta complex | Descriptor: | Peroxisome proliferator-activated receptor delta, {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | Authors: | Amano, Y. | Deposit date: | 2008-05-16 | Release date: | 2008-06-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | PPAR-Delta Activation Contributes to Neuroprotectio Against Thapsigargin-Induced SH-SY5Y Cell Death to be published
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5WS5
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![BU of 5ws5 by Molmil](/molmil-images/mine/5ws5) | Native XFEL structure of photosystem II (preflash dark dataset) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2016-12-05 | Release date: | 2017-03-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL. Nature, 543, 2017
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8AOM
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![BU of 8aom by Molmil](/molmil-images/mine/8aom) | Complex of PD-L1 with VHH1 | Descriptor: | MAGNESIUM ION, Programmed cell death 1 ligand 1, VHH6 | Authors: | Kang-Pettinger, T, Hall, G. | Deposit date: | 2022-08-08 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Identification, binding, and structural characterization of single domain anti-PD-L1 antibodies inhibitory of immune regulatory proteins PD-1 and CD80. J.Biol.Chem., 299, 2023
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3BUN
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![BU of 3bun by Molmil](/molmil-images/mine/3bun) | Crystal structure of c-Cbl-TKB domain complexed with its binding motif in Sprouty4 | Descriptor: | 13-meric peptide from Protein sprouty homolog 4, E3 ubiquitin-protein ligase CBL | Authors: | Ng, C, Jackson, R.A, Buschdorf, J.P, Sun, Q, Guy, G.R, Sivaraman, J. | Deposit date: | 2008-01-03 | Release date: | 2008-02-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for a novel intrapeptidyl H-bond and reverse binding of c-Cbl-TKB domain substrates Embo J., 27, 2008
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3VSO
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![BU of 3vso by Molmil](/molmil-images/mine/3vso) | Human PPAR gamma ligand binding domain in complex with a gamma selective agonist mekt21 | Descriptor: | (2R)-2-benzyl-3-[4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)phenyl]propanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Oyama, T, Waku, T, Ohashi, M, Morikawa, K, Miyachi, H. | Deposit date: | 2012-04-30 | Release date: | 2013-05-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and synthesis of a series of alpha-benzyl phenylpropanoic acid-type peroxisome proliferator-activated receptor (PPAR) gamma partial agonists with improved aqueous solubility Bioorg.Med.Chem., 21, 2013
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5WS6
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![BU of 5ws6 by Molmil](/molmil-images/mine/5ws6) | Native XFEL structure of Photosystem II (preflash two-flash dataset | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2016-12-05 | Release date: | 2017-03-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL. Nature, 543, 2017
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3BUO
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![BU of 3buo by Molmil](/molmil-images/mine/3buo) | Crystal structure of c-Cbl-TKB domain complexed with its binding motif in EGF receptor' | Descriptor: | 13-meric peptide from Epidermal growth factor receptor, E3 ubiquitin-protein ligase CBL | Authors: | Ng, C, Jackson, R.A, Buschdorf, J.P, Sun, Q, Guy, G.R, Sivaraman, J. | Deposit date: | 2008-01-03 | Release date: | 2008-02-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for a novel intrapeptidyl H-bond and reverse binding of c-Cbl-TKB domain substrates Embo J., 27, 2008
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3HWJ
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![BU of 3hwj by Molmil](/molmil-images/mine/3hwj) | Crystal structure of the second PHR domain of Mouse Myc-binding protein 2 (MYCBP-2) | Descriptor: | DIMETHYL SULFOXIDE, E3 ubiquitin-protein ligase MYCBP2 | Authors: | Sampathkumar, P, Ozyurt, S.A, Wasserman, S.R, Miller, S.A, Bain, K.T, Rutter, M.E, Gheyi, T, Klemke, R.L, Atwell, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-06-17 | Release date: | 2009-07-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structures of PHR domains from Mus musculus Phr1 (Mycbp2) explain the loss-of-function mutation (Gly1092-->Glu) of the C. elegans ortholog RPM-1. J.Mol.Biol., 397, 2010
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7LUJ
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![BU of 7luj by Molmil](/molmil-images/mine/7luj) | |
2QNX
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![BU of 2qnx by Molmil](/molmil-images/mine/2qnx) | Crystal structure of the complex between the mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and 11-[(decyloxycarbonyl)dithio]-undecanoic acid | Descriptor: | 11-MERCAPTOUNDECANOIC ACID, 3-oxoacyl-[acyl-carrier-protein] synthase 3, O-DECYL HYDROGEN THIOCARBONATE | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | Deposit date: | 2007-07-19 | Release date: | 2008-05-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH Chem.Biol., 15, 2008
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6A2W
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![BU of 6a2w by Molmil](/molmil-images/mine/6a2w) | Crystal structure of fucoxanthin chlorophyll a/c complex from Phaeodactylum tricornutum | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Wang, W, Yu, L.J, Kuang, T.Y, Shen, J.R. | Deposit date: | 2018-06-13 | Release date: | 2019-02-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for blue-green light harvesting and energy dissipation in diatoms. Science, 363, 2019
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5ZXG
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![BU of 5zxg by Molmil](/molmil-images/mine/5zxg) | Cyclic alpha-maltosyl-(1-->6)-maltose hydrolase from Arthrobacter globiformis, ligand-free form | Descriptor: | CALCIUM ION, Cyclic maltosyl-maltose hydrolase | Authors: | Kohno, M, Arakawa, T, Mori, T, Nishimoto, T, Fushinobu, S. | Deposit date: | 2018-05-20 | Release date: | 2018-09-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural features of a bacterial cyclic alpha-maltosyl-(1→6)-maltose (CMM) hydrolase critical for CMM recognition and hydrolysis. J. Biol. Chem., 293, 2018
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6AAJ
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![BU of 6aaj by Molmil](/molmil-images/mine/6aaj) | Crystal structure of JAK2 in complex with peficitinib | Descriptor: | 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Amano, Y, Tateishi, Y. | Deposit date: | 2018-07-18 | Release date: | 2018-08-15 | Last modified: | 2023-03-08 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor Bioorg. Med. Chem., 26, 2018
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3RN8
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![BU of 3rn8 by Molmil](/molmil-images/mine/3rn8) | |