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6O1E
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BU of 6o1e by Molmil
The crystal structure of human MORC3 ATPase-CW in complex with AMPPNP
Descriptor: MAGNESIUM ION, MORC family CW-type zinc finger protein 3, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Klein, B.J, Zhang, Y, Kutateladze, T.G.
Deposit date:2019-02-19
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Mechanism for autoinhibition and activation of the MORC3 ATPase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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
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
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
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
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
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
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
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
5XS9
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BU of 5xs9 by Molmil
Crystal structure of Mycobacterium smegmatis BioQ
Descriptor: TetR family transcriptional regulator
Authors:Zhang, Y, Ji, Q, Feng, Y.
Deposit date:2017-06-13
Release date:2018-06-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of BioQ suggests a distinct regulatory mechanism for biotin, a nutritional virulence factor in Mycobacterium
To Be Published
8JE4
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BU of 8je4 by Molmil
Crystal structure of LimF prenyltransferase (H239G/W273T mutant) bound with the thiodiphosphate moiety of farnesyl S-thiolodiphosphate (FSPP)
Descriptor: MAGNESIUM ION, TRIHYDROGEN THIODIPHOSPHATE, prenyltransferase, ...
Authors:Hamada, K, Oguni, A, Zhang, Y, Satake, M, Goto, Y, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2023-05-15
Release date:2023-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Switching Prenyl Donor Specificities of Cyanobactin Prenyltransferases.
J.Am.Chem.Soc., 145, 2023
8KHF
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BU of 8khf by Molmil
Structure of the human ATP synthase bound to bedaquiline (membrane domain)
Descriptor: ATP synthase F(0) complex subunit B1, mitochondrial, ATP synthase F(0) complex subunit C1, ...
Authors:Lai, Y, Zhang, Y.
Deposit date:2023-08-21
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structure of Mycobacterium tuberculosis ATP synthase
To Be Published
8KI3
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BU of 8ki3 by Molmil
Structure of the human ATP synthase bound to bedaquiline (composite)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase F(0) complex subunit B1, ...
Authors:Lai, Y, Zhang, Y, Gong, H.
Deposit date:2023-08-22
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structure of Mycobacterium tuberculosis ATP synthase
To Be Published
5X87
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BU of 5x87 by Molmil
Crystal structure of a bacterial Bestrophin homolog from Klebsiella pneumoniae with a mutation L177T
Descriptor: Bestrophin, ZINC ION
Authors:Zhang, Y, Chen, S, Yang, T.
Deposit date:2017-03-01
Release date:2017-11-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Patient-specific mutations impair BESTROPHIN1's essential role in mediating Ca2+-dependent Cl-currents in human RPE.
Elife, 6, 2017
8J3V
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BU of 8j3v by Molmil
Structure of the transmembrane domain of human PD-L2
Descriptor: Programmed cell death 1 ligand 2
Authors:OuYang, B, Zhang, Y.
Deposit date:2023-04-18
Release date:2024-03-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Deciphering Cholesterol's Role in PD-L2 Stability: A Distinct Regulatory Mechanism From PD-L1.
J.Mol.Biol., 436, 2024
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
6KQD
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BU of 6kqd by Molmil
Thermus thermophilus initial transcription complex comprising sigma A and 5'-OH RNA of 3 nt
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DNA (5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G*)-3'), ...
Authors:Zhang, Y, Li, L, Ebright, R.H.
Deposit date:2019-08-17
Release date:2020-03-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KQE
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BU of 6kqe by Molmil
Thermus thermophilus initial transcription complex comprising sigma A and 5'-OH RNA of 4 nt
Descriptor: DNA (5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G*)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Zhang, Y, Li, L, Ebright, R.H.
Deposit date:2019-08-17
Release date:2020-03-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KQM
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BU of 6kqm by Molmil
Thermus thermophilus initial transcription complex comprising sigma A and 5'-triphosphate RNA of 5 nt
Descriptor: DNA (5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G*)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Zhang, Y, Li, L, Ebright, R.H.
Deposit date:2019-08-18
Release date:2020-03-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.197 Å)
Cite:RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KQG
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BU of 6kqg by Molmil
Thermus thermophilus initial transcription complex comprising sigma A and 5'-OH RNA of 6 nt
Descriptor: DNA (5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G*)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Zhang, Y, Li, L, Ebright, R.H.
Deposit date:2019-08-17
Release date:2020-03-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.783 Å)
Cite:RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KQH
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BU of 6kqh by Molmil
Thermus thermophilus initial transcription complex comprising sigma A and 5'-OH RNA of 7 nt
Descriptor: DNA (5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G*)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Zhang, Y, Li, L, Ebright, R.H.
Deposit date:2019-08-17
Release date:2020-03-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KQL
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BU of 6kql by Molmil
Thermus thermophilus initial transcription complex comprising sigma A and 5'-triphosphate RNA of 4 nt
Descriptor: DNA (5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*G*)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Zhang, Y, Li, L, Ebright, R.H.
Deposit date:2019-08-18
Release date:2020-03-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020
7XED
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BU of 7xed by Molmil
Crystal Structure of OsCIE1-Ubox and OsUBC8 complex
Descriptor: U-box domain-containing protein 12, UBC core domain-containing protein
Authors:Zhang, Y, Yu, C.Z.
Deposit date:2022-03-30
Release date:2023-10-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice
Nature, 2024

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