4JNA
| Crystal structure of the DepH complex with dimethyl-FK228 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DepH, ... | Authors: | Li, J, Wang, C, Zhang, Z.M, Zhou, J.H, Cheng, E. | Deposit date: | 2013-03-14 | Release date: | 2014-03-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structural basis of an NADP+-independent dithiol oxidase in FK228 biosynthesis. Sci Rep, 4, 2014
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4I52
| scMenB im complex with 1-hydroxy-2-naphthoyl-CoA | Descriptor: | 1-hydroxy-2-naphthoyl-CoA, CHLORIDE ION, Naphthoate synthase | Authors: | Song, H.G, Sun, Y.R, Li, J, Li, Y, Jiang, M, Zhou, J.H, Guo, Z.H. | Deposit date: | 2012-11-28 | Release date: | 2013-05-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis of the induced-fit mechanism of 1,4-dihydroxy-2-naphthoyl coenzyme a synthase from the crotonase fold superfamily Plos One, 8, 2013
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4I4Z
| Synechocystis sp. PCC 6803 1,4-dihydroxy-2-naphthoyl-coenzyme A synthase (MenB) in complex with salicylyl-CoA | Descriptor: | BICARBONATE ION, MALONATE ION, Naphthoate synthase, ... | Authors: | Song, H.G, Sun, Y.R, Li, J, Li, Y, Jiang, M, Zhou, J.H, Guo, Z.H. | Deposit date: | 2012-11-28 | Release date: | 2013-05-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of the induced-fit mechanism of 1,4-dihydroxy-2-naphthoyl coenzyme a synthase from the crotonase fold superfamily Plos One, 8, 2013
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4ERF
| crystal structure of MDM2 (17-111) in complex with compound 29 (AM-8553) | Descriptor: | E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid | Authors: | Huang, X. | Deposit date: | 2012-04-20 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of novel inhibitors of the MDM2-p53 interaction. J.Med.Chem., 55, 2012
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4ERE
| crystal structure of MDM2 (17-111) in complex with compound 23 | Descriptor: | E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid | Authors: | Huang, X. | Deposit date: | 2012-04-20 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of novel inhibitors of the MDM2-p53 interaction. J.Med.Chem., 55, 2012
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5KYJ
| Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core | Descriptor: | (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole, Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta | Authors: | Chen, G, McKeever, B.M. | Deposit date: | 2016-07-21 | Release date: | 2016-09-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core. Bioorg.Med.Chem.Lett., 26, 2016
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5KYA
| Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core | Descriptor: | Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol | Authors: | Chen, G, McKeever, B.M. | Deposit date: | 2016-07-21 | Release date: | 2016-09-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core. Bioorg.Med.Chem.Lett., 26, 2016
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8S9G
| SARS-CoV-2 BN.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Fab Heavy chain, ... | Authors: | Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D. | Deposit date: | 2023-03-28 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Neutralization, effector function and immune imprinting of Omicron variants. Nature, 621, 2023
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6U0D
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0590 | Descriptor: | Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea | Authors: | Leonard, P.G, Joseph, S. | Deposit date: | 2019-08-14 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site J. Med. Chem., 2022
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3TB3
| Crystal structure of the UCH domain of UCH-L5 with 6 residues deleted | Descriptor: | CALCIUM ION, Ubiquitin carboxyl-terminal hydrolase isozyme L5 | Authors: | Zhou, Z.R, Zha, M, Zhou, J, Hu, H.Y. | Deposit date: | 2011-08-05 | Release date: | 2012-02-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Length of the active-site crossover loop defines the substrate specificity of ubiquitin C-terminal hydrolases for ubiquitin chains. Biochem.J., 441, 2012
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8DB4
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2QPA
| Crystal Structure of S.cerevisiae Vps4 in the presence of ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, Vacuolar protein sorting-associated protein 4 | Authors: | Xiao, J, Xu, Z. | Deposit date: | 2007-07-23 | Release date: | 2007-10-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural characterization of the ATPase reaction cycle of endosomal AAA protein Vps4. J.Mol.Biol., 374, 2007
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5DIJ
| The crystal structure of CT | Descriptor: | CHLORIDE ION, GLYCEROL, TqaA | Authors: | Zhang, J.R, Tang, Y, Zhou, J.H. | Deposit date: | 2015-09-01 | Release date: | 2016-09-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of nonribosomal peptide macrocyclization in fungi Nat.Chem.Biol., 12, 2016
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5DLK
| The crystal structure of CT mutant | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, TqaA | Authors: | Zhang, J.R, Tang, Y, Zhou, J.H. | Deposit date: | 2015-09-06 | Release date: | 2016-09-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of nonribosomal peptide macrocyclization in fungi Nat.Chem.Biol., 12, 2016
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8OL9
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5EJD
| The crystal structure of holo T3CT | Descriptor: | 4'-PHOSPHOPANTETHEINE, GLYCEROL, TqaA | Authors: | Zhang, J.R, Tang, Y, Zhou, J.H. | Deposit date: | 2015-11-01 | Release date: | 2016-10-19 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural basis of nonribosomal peptide macrocyclization in fungi Nat.Chem.Biol., 12, 2016
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5EGF
| The crystal structure of SeMet-CT | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, TqaA | Authors: | Zhang, J.R, Tang, Y, Zhou, J.H. | Deposit date: | 2015-10-27 | Release date: | 2016-10-19 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural basis of nonribosomal peptide macrocyclization in fungi Nat.Chem.Biol., 12, 2016
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4O98
| Crystal structure of Pseudomonas oleovorans PoOPH mutant H250I/I263W | Descriptor: | ZINC ION, organophosphorus hydrolase | Authors: | Luo, X.J, Kong, X.D, Zhao, J, Chen, Q, Zhou, J.H, Xu, J.H. | Deposit date: | 2014-01-02 | Release date: | 2014-12-03 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Switching a newly discovered lactonase into an efficient and thermostable phosphotriesterase by simple double mutations His250Ile/Ile263Trp Biotechnol.Bioeng., 111, 2014
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6IS2
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6IS3
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6JBT
| Complex structure of toripalimab-Fab and PD-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, ... | Authors: | Guo, L, Tan, S, Chai, Y, Qi, J, Gao, G.F, Yan, J. | Deposit date: | 2019-01-26 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Glycosylation-independent binding of monoclonal antibody toripalimab to FG loop of PD-1 for tumor immune checkpoint therapy. Mabs, 11, 2019
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4ISH
| Structure of FACTOR VIIA in complex with the inhibitor BMS-593214 also known as 2'-[(6R,6AR,11BR)-2-CARBAMIMIDOYL-6,6A,7,11B-TETRAHYDRO-5H-INDENO[2,1-C]QUINOLIN-6-YL]-5'-HYDROXY-4'-METHOXYBIPHENYL-4-CARBOXYLIC ACID | Descriptor: | 2'-[(6R,6aR,11bR)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxybiphenyl-4-carboxylic acid, CALCIUM ION, Factor VII heavy chain, ... | Authors: | Wei, A. | Deposit date: | 2013-01-16 | Release date: | 2013-03-20 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery and gram-scale synthesis of BMS-593214, a potent, selective FVIIa inhibitor. Bioorg.Med.Chem.Lett., 23, 2013
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2QP9
| Crystal Structure of S.cerevisiae Vps4 | Descriptor: | CADMIUM ION, SULFATE ION, Vacuolar protein sorting-associated protein 4 | Authors: | Xiao, J, Xu, Z. | Deposit date: | 2007-07-23 | Release date: | 2007-10-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural characterization of the ATPase reaction cycle of endosomal AAA protein Vps4. J.Mol.Biol., 374, 2007
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3GF8
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6VPY
| I33M (I3.2 mutant from CH103 Lineage) | Descriptor: | CHLORIDE ION, GLYCEROL, I33M heavy chain, ... | Authors: | Fera, D, Zhou, J. | Deposit date: | 2020-02-04 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | The Effects of Framework Mutations at the Variable Domain Interface on Antibody Affinity Maturation in an HIV-1 Broadly Neutralizing Antibody Lineage. Front Immunol, 11, 2020
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