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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
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
5Y4O
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BU of 5y4o by Molmil
Cryo-EM structure of MscS channel, YnaI
Descriptor: Low conductance mechanosensitive channel YnaI
Authors:Zhang, Y, Yu, J.
Deposit date:2017-08-04
Release date:2019-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A binding-block ion selective mechanism revealed by a Na/K selective channel.
Protein Cell, 9, 2018
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
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
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
2M0G
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BU of 2m0g by Molmil
Structure, phosphorylation and U2AF65 binding of the Nterminal Domain of splicing factor 1 during 3 splice site Recognition
Descriptor: Splicing factor 1, Splicing factor U2AF 65 kDa subunit
Authors:Madl, T, Sattler, M, Zhang, Y, Bagdiul, I, Kern, T, Kang, H, Zou, P, Maeusbacher, N, Sieber, S.A, Kraemer, A.
Deposit date:2012-10-25
Release date:2013-01-30
Last modified:2024-05-01
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
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
4HS4
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BU of 4hs4 by Molmil
Crystal structure of a putative chromate reductase from Gluconacetobacter hansenii, Gh-ChrR, containing a Y129N substitution.
Descriptor: Chromate reductase, FLAVIN MONONUCLEOTIDE
Authors:Zhang, Y, Robinson, H, Buchko, G.W.
Deposit date:2012-10-29
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanistic insights of chromate and uranyl reduction by the NADPH-dependent FMN reductase, ChrR, from Gluconacetobacter hansenii
To be Published
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
8JI9
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BU of 8ji9 by Molmil
Crystal Structure of cas7 and AcrIE10 complex
Descriptor: Uncharacterized protein, type I-E Cascade subunit cas7
Authors:Zhang, Y, Yu, C.Z, Sun, S.Y.
Deposit date:2023-05-26
Release date:2024-07-24
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:A new anti-CRISPR gene promotes the spread of drug-resistance plasmids in Klebsiella pneumoniae.
Nucleic Acids Res., 52, 2024
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
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
2I0I
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BU of 2i0i by Molmil
X-ray crystal structure of Sap97 PDZ3 bound to the C-terminal peptide of HPV18 E6
Descriptor: Disks large homolog 1, peptide E6
Authors:Chen, X.S, Zhang, Y, Dasgupta, J, Banks, L, Thomas, M.
Deposit date:2006-08-10
Release date:2007-02-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of a Human Papillomavirus (HPV) E6 Polypeptide Bound to MAGUK Proteins: Mechanisms of Targeting Tumor Suppressors by a High-Risk HPV Oncoprotein.
J.Virol., 81, 2007
2I0L
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BU of 2i0l by Molmil
X-ray crystal structure of Sap97 PDZ2 bound to the C-terminal peptide of HPV18 E6.
Descriptor: Disks large homolog 1, peptide E6
Authors:Chen, X.S, Zhang, Y, Dasgupta, J, Banks, L, Thomas, M.
Deposit date:2006-08-10
Release date:2007-02-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structures of a Human Papillomavirus (HPV) E6 Polypeptide Bound to MAGUK Proteins: Mechanisms of Targeting Tumor Suppressors by a High-Risk HPV Oncoprotein.
J.Virol., 81, 2007
2I04
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BU of 2i04 by Molmil
X-ray crystal structure of MAGI-1 PDZ1 bound to the C-terminal peptide of HPV18 E6
Descriptor: Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1, SULFATE ION, ...
Authors:Chen, X.S, Zhang, Y, Dasgupta, J, Banks, L, Thomas, M.
Deposit date:2006-08-09
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structures of a Human Papillomavirus (HPV) E6 Polypeptide Bound to MAGUK Proteins: Mechanisms of Targeting Tumor Suppressors by a High-Risk HPV Oncoprotein.
J.Virol., 81, 2007
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
8VQ4
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BU of 8vq4 by Molmil
CDK2-CyclinE1 in complex with allosteric inhibitor I-125A.
Descriptor: (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B.
Deposit date:2024-01-17
Release date:2024-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
8VQ3
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BU of 8vq3 by Molmil
CDK2-CyclinE1 in complex with allosteric inhibitor I-198.
Descriptor: (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B.
Deposit date:2024-01-17
Release date:2024-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
6C00
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BU of 6c00 by Molmil
Solution structure of translation initiation factor 1 from Clostridium difficile
Descriptor: Translation initiation factor IF-1
Authors:Zhang, Y, Aguilar, F.
Deposit date:2017-12-26
Release date:2019-01-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:1H,13C and15N resonance assignments and structure prediction of translation initiation factor 1 from Clostridium difficile.
Biomol.Nmr Assign., 13, 2019
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

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