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3LZD
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BU of 3lzd by Molmil
Crystal structure of Dph2 from Pyrococcus horikoshii with 4Fe-4S cluster
Descriptor: Dph2, IRON/SULFUR CLUSTER, SULFATE ION
Authors:Torelli, A.T, Zhang, Y, Zhu, X, Lee, M, Dzikovski, B, Koralewski, R.M, Wang, E, Freed, J, Krebs, C, Lin, H, Ealick, S.E.
Deposit date:2010-03-01
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Diphthamide biosynthesis requires an organic radical generated by an iron-sulphur enzyme.
Nature, 465, 2010
2M09
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BU of 2m09 by Molmil
Structure, phosphorylation and U2AF65 binding of the Nterminal Domain of splicing factor 1 during 3 splice site Recognition
Descriptor: Splicing factor 1
Authors:Madl, T, Sattler, M, Zhang, Y, Bagdiul, I, Kern, T, Kang, H, Zou, P, Maeusbacher, N, Sieber, S.A, Kraemer, A.
Deposit date:2012-10-22
Release date:2013-01-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure, phosphorylation and U2AF65 binding of the N-terminal domain of splicing factor 1 during 3'-splice site recognition.
Nucleic Acids Res., 41, 2013
3NTP
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BU of 3ntp by Molmil
Human Pin1 complexed with reduced amide inhibitor
Descriptor: (2R)-2-(acetylamino)-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Zhang, Y.
Deposit date:2010-07-05
Release date:2012-01-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:A reduced-amide inhibitor of Pin1 binds in a conformation resembling a twisted-amide transition state.
Biochemistry, 50, 2011
3PWM
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BU of 3pwm by Molmil
HIV-1 Protease Mutant L76V with Darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, CHLORIDE ION, ...
Authors:Zhang, Y, Weber, I.T.
Deposit date:2010-12-08
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:The L76V Drug Resistance Mutation Decreases the Dimer Stability and Rate of Autoprocessing of HIV-1 Protease by Reducing Internal Hydrophobic Contacts.
Biochemistry, 50, 2011
8H7G
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BU of 8h7g by Molmil
Cryo-EM structure of the human SAGA complex
Descriptor: Ataxin-7, STAGA complex 65 subunit gamma, Splicing factor 3B subunit 3, ...
Authors:Huang, J, Zhang, Y.
Deposit date:2022-10-20
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structure of human SAGA transcriptional coactivator complex.
Cell Discov, 8, 2022
4GA3
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BU of 4ga3 by Molmil
Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1260
Descriptor: 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
Authors:Liu, Y.-L, Zhang, Y, Oldfield, E.
Deposit date:2012-07-24
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Chemo-Immunotherapeutic Anti-Malarials Targeting Isoprenoid Biosynthesis.
ACS MED.CHEM.LETT., 4, 2013
3PWR
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BU of 3pwr by Molmil
HIV-1 Protease Mutant L76V complexed with Saquinavir
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, GLYCEROL, ...
Authors:Zhang, Y, Weber, I.T.
Deposit date:2010-12-08
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The L76V Drug Resistance Mutation Decreases the Dimer Stability and Rate of Autoprocessing of HIV-1 Protease by Reducing Internal Hydrophobic Contacts.
Biochemistry, 50, 2011
4H6P
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BU of 4h6p by Molmil
Crystal structure of a putative chromate reductase from Gluconacetobacter hansenii, Gh-ChrR, containing a R101A substitution.
Descriptor: Chromate reductase, FLAVIN MONONUCLEOTIDE
Authors:Zhang, Y, Robinson, H, Buchko, G.W.
Deposit date:2012-09-19
Release date:2012-10-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.556 Å)
Cite:Mechanistic insights of chromate and uranyl reduction by the NADPH-dependent FMN reductase, ChrR, from Gluconacetobacter hansenii
To be Published
8HPB
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BU of 8hpb by Molmil
NMR Structure of OsCIE1-Ubox S237D mutant
Descriptor: U-box domain-containing protein 12
Authors:Zhang, Y, Yu, C.Z, Lan, W.X.
Deposit date:2022-12-12
Release date:2023-12-20
Last modified:2024-06-12
Method:SOLUTION NMR
Cite:Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice.
Nature, 629, 2024
8HQB
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BU of 8hqb by Molmil
NMR Structure of OsCIE1-Ubox
Descriptor: U-box domain-containing protein 12
Authors:Zhang, Y, Yu, C.Z, Lan, W.X.
Deposit date:2022-12-13
Release date:2023-12-20
Last modified:2024-06-12
Method:SOLUTION NMR
Cite:Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice.
Nature, 629, 2024
3TH8
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BU of 3th8 by Molmil
Structure of E. coli undecaprenyl diphosphate synthase complexed with BPH-1063
Descriptor: (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Zhu, W, Zhang, Y, Oldfield, E.
Deposit date:2011-08-18
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.114 Å)
Cite:HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
7KHJ
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BU of 7khj by Molmil
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX8512 in the DFG-in state
Descriptor: 2-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Mast/stem cell growth factor receptor Kit
Authors:Zhang, Y.
Deposit date:2020-10-21
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial.
Jama Oncol, 7, 2021
7KHK
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BU of 7khk by Molmil
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX9486 (bezuclastinib) in the DFG-in state
Descriptor: 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide, Mast/stem cell growth factor receptor Kit
Authors:Zhang, Y.
Deposit date:2020-10-21
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial.
Jama Oncol, 7, 2021
7KHG
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BU of 7khg by Molmil
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX3397
Descriptor: 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine, Mast/stem cell growth factor receptor Kit
Authors:Zhang, Y.
Deposit date:2020-10-21
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial.
Jama Oncol, 7, 2021
1AOG
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BU of 1aog by Molmil
TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE (OXIDIZED FORM)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, MALEIC ACID, TRYPANOTHIONE REDUCTASE
Authors:Bond, C.S, Zhang, Y, Hunter, W.N.
Deposit date:1997-07-03
Release date:1997-09-17
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of trypanothione reductase from the human pathogen Trypanosoma cruzi at 2.3 A resolution.
Protein Sci., 5, 1996
5HYN
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BU of 5hyn by Molmil
Structure of Human Polycomb Repressive Complex 2 (PRC2) with oncogenic histone H3K27M peptide
Descriptor: H3K27M, Histone-lysine N-methyltransferase EZH2, JARID2 K116me3, ...
Authors:Zhang, Y, Justin, N, Wilson, J.R, Gamblin, S.J.
Deposit date:2016-02-01
Release date:2016-05-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis of oncogenic histone H3K27M inhibition of human polycomb repressive complex 2.
Nat Commun, 7, 2016
5WAN
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BU of 5wan by Molmil
Crystal Structure of a flavoenzyme RutA in the pyrimidine catabolic pathway
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, Pyrimidine monooxygenase RutA, ...
Authors:Zhang, Y, Mukherjee, T, Abdelwahed, S, Begley, T.P, Ealick, S.E.
Deposit date:2017-06-26
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Catalysis of a flavoenzyme-mediated amide hydrolysis.
J. Am. Chem. Soc., 132, 2010
5WVM
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BU of 5wvm by Molmil
Crystal structure of baeS cocrystallized with 2 mM indole
Descriptor: Maltose-binding periplasmic protein,Two-component system sensor kinase, SULFATE ION
Authors:Wang, W, Zhang, Y, Rang, T, Xu, D.
Deposit date:2016-12-26
Release date:2018-01-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the sensor domain of BaeS from Serratia marcescens FS14
Proteins, 85, 2017
5WVN
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BU of 5wvn by Molmil
Crystal structure of MBS-BaeS fusion protein
Descriptor: Maltose-binding periplasmic protein,Two-component system sensor kinase, SULFATE ION
Authors:Wang, W, Zhang, Y, Ran, T, Xu, D.
Deposit date:2016-12-26
Release date:2018-01-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the sensor domain of BaeS from Serratia marcescens FS14
Proteins, 85, 2017
5X21
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BU of 5x21 by Molmil
Crystal structure of Thermus thermophilus transcription initiation complex with GpA and pseudouridimycin (PUM)
Descriptor: (1S)-1,4-anhydro-5-[(N-carbamimidoylglycyl-N~2~-hydroxy-L-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-ribitol, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Zhang, Y, Ebright, R.
Deposit date:2017-01-29
Release date:2017-07-05
Last modified:2022-10-12
Method:X-RAY DIFFRACTION (3.323 Å)
Cite:Antibacterial Nucleoside-Analog Inhibitor of Bacterial RNA Polymerase.
Cell, 169, 2017
5X22
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BU of 5x22 by Molmil
Crystal structure of Thermus thermophilus transcription initiation complex with GpA and CMPcPP
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Zhang, Y, Ebright, R.
Deposit date:2017-01-29
Release date:2017-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Antibacterial Nucleoside-Analog Inhibitor of Bacterial RNA Polymerase.
Cell, 169, 2017
3RY0
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BU of 3ry0 by Molmil
Crystal structure of TomN, a 4-Oxalocrotonate Tautomerase homologue in Tomaymycin biosynthetic pathway
Descriptor: Putative tautomerase
Authors:Zhang, Y, Yan, W.P, Li, W.Z, Whitman, C.P.
Deposit date:2011-05-10
Release date:2011-08-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Kinetic, Crystallographic, and Mechanistic Characterization of TomN: Elucidation of a Function for a 4-Oxalocrotonate Tautomerase Homologue in the Tomaymycin Biosynthetic Pathway.
Biochemistry, 50, 2011
3V7T
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BU of 3v7t by Molmil
Crystal Structure of Human Beta-Tryptase Complexed with a Synthetic Inhibitor with a Tropanylamide Scaffold
Descriptor: CARBONATE ION, TPSB2 protein, {(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone
Authors:Zhang, Y, Colonna, C, Michot, N.
Deposit date:2011-12-22
Release date:2012-03-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:A beta-tryptase inhibitor with a tropanylamide scaffold to improve in vitro stability and to lower hERG channel binding affinity
Bioorg.Med.Chem.Lett., 22, 2012
6N33
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BU of 6n33 by Molmil
Crystal structure of fms kinase domain with a small molecular inhibitor, PLX5622
Descriptor: 6-fluoro-N-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor
Authors:Zhang, Y.
Deposit date:2018-11-14
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Sustained microglial depletion with CSF1R inhibitor impairs parenchymal plaque development in an Alzheimer's disease model.
Nat Commun, 10, 2019
7DTK
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BU of 7dtk by Molmil
Crystal structure of the RecA1 domain of RNA helicase CGH-1 in C. elegans
Descriptor: ATP-dependent RNA helicase cgh-1, GLYCEROL
Authors:Hong, J.J, Lv, M.Q, Zhang, Y.
Deposit date:2021-01-05
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Structural and biochemical insights into the recognition of RNA helicase CGH-1 by CAR-1 in C. elegans.
Biochem.Biophys.Res.Commun., 549, 2021

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