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5GTM
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BU of 5gtm by Molmil
Modified human MxA, nucleotide-free form
分子名称: Interferon-induced GTP-binding protein Mx1
著者Chen, Y, Gao, S.
登録日2016-08-22
公開日2017-05-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.896 Å)
主引用文献Conformational dynamics of dynamin-like MxA revealed by single-molecule FRET
Nat Commun, 8, 2017
3FKW
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BU of 3fkw by Molmil
AmpC K67R mutant apo structure
分子名称: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION
著者Chen, Y, McReynolds, A, Shoichet, B.K.
登録日2008-12-17
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Re-examining the role of Lys67 in class C beta-lactamase catalysis.
Protein Sci., 18, 2009
3FKV
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BU of 3fkv by Molmil
AmpC K67R mutant complexed with benzo(b)thiophene-2-boronic acid (bzb)
分子名称: BENZO[B]THIOPHENE-2-BORONIC ACID, Beta-lactamase, PHOSPHATE ION, ...
著者Chen, Y, McReynolds, A, Shoichet, B.K.
登録日2008-12-17
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.847 Å)
主引用文献Re-examining the role of Lys67 in class C beta-lactamase catalysis.
Protein Sci., 18, 2009
3FN3
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BU of 3fn3 by Molmil
Dimeric Structure of PD-L1
分子名称: Programmed cell death 1 ligand 1
著者Chen, Y, Gao, F, Liu, P, Chu, F, Qi, J, Gao, G.F.
登録日2008-12-23
公開日2009-12-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A dimeric structure of PD-L1: functional units or evolutionary relics?
Protein Cell, 1, 2010
3G34
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BU of 3g34 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 11 (1CE)
分子名称: 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ...
著者Chen, Y, Shoichet, B.K.
登録日2009-02-01
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G2Z
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BU of 3g2z by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 2 (GZ2)
分子名称: 3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE
著者Chen, Y, Shoichet, B.K.
登録日2009-02-01
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G35
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BU of 3g35 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 12 (F13)
分子名称: 3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE
著者Chen, Y, Shoichet, B.K.
登録日2009-02-01
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G31
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BU of 3g31 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 4 (GF1)
分子名称: (2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ...
著者Chen, Y, Shoichet, B.K.
登録日2009-02-01
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G30
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BU of 3g30 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 3 (G30)
分子名称: (1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid, Beta-lactamase CTX-M-9a
著者Chen, Y, Shoichet, B.K.
登録日2009-02-01
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G32
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BU of 3g32 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 6 (3G3)
分子名称: 2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ...
著者Chen, Y, Shoichet, B.K.
登録日2009-02-01
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G2Y
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BU of 3g2y by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 1 (GF4)
分子名称: 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE
著者Chen, Y, Shoichet, B.K.
登録日2009-02-01
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3TOJ
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BU of 3toj by Molmil
Structure of the SPRY domain of human Ash2L
分子名称: Set1/Ash2 histone methyltransferase complex subunit ASH2
著者Chen, Y, Cao, F, Wan, B, Dou, Y, Lei, M.
登録日2011-09-05
公開日2012-01-25
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure of the SPRY domain of human Ash2L and its interactions with RbBP5 and DPY30.
Cell Res., 22, 2012
2D27
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BU of 2d27 by Molmil
Structure of the N-terminal domain of XpsE (crystal form I4122)
分子名称: type II secretion ATPase XpsE
著者Chen, Y, Shiue, S.-J, Huang, C.-W, Chang, J.-L, Chien, Y.-L, Hu, N.-T, Chan, N.-L.
登録日2005-09-03
公開日2005-09-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure and Function of the XpsE N-Terminal Domain, an Essential Component of the Xanthomonas campestris Type II Secretion System
J.Biol.Chem., 280, 2005
2D28
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BU of 2d28 by Molmil
Structure of the N-terminal domain of XpsE (crystal form P43212)
分子名称: CACODYLATE ION, type II secretion ATPase XpsE
著者Chen, Y, Shiue, S.-J, Huang, C.-W, Chang, J.-L, Chien, Y.-L, Hu, N.-T, Chan, N.-L.
登録日2005-09-03
公開日2005-09-20
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Function of the XpsE N-Terminal Domain, an Essential Component of the Xanthomonas campestris Type II Secretion System
J.Biol.Chem., 280, 2005
2FEY
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BU of 2fey by Molmil
The structure of stem loop IV of Tetrahymena telomerase RNA
分子名称: stem-loop IV of Tetrahymena telomerase RNA
著者Chen, Y, Fender, J, Legassie, J.D, Jarstfer, M.B, Bryan, T.M, Varani, G.
登録日2005-12-16
公開日2006-06-27
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure of stem-loop IV of Tetrahymena telomerase RNA.
Embo J., 25, 2006
2FFY
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BU of 2ffy by Molmil
AmpC beta-lactamase N289A mutant in complex with a boronic acid deacylation transition state analog compound SM3
分子名称: (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION, ...
著者Chen, Y, Minasov, G, Roth, T.A, Prati, F, Shoichet, B.K.
登録日2005-12-20
公開日2006-03-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献The deacylation mechanism of AmpC beta-lactamase at ultrahigh resolution
J.Am.Chem.Soc., 128, 2006
7WVB
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BU of 7wvb by Molmil
Human Fructose-1,6-bisphosphatase 1 mutant R50A in APO R-state
分子名称: Fructose-1,6-bisphosphatase 1
著者Chen, Y, Zhang, J, Li, C, Cao, Y.
登録日2022-02-10
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Human Fructose-1,6-bisphosphatase 1 mutant R50A in APO R-state
To Be Published
6ALJ
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BU of 6alj by Molmil
ALDH1A2 liganded with NAD and compound WIN18,446
分子名称: Aldehyde dehydrogenase 1A2, N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide), NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Chen, Y, Zhu, J.-Y, Schonbrunn, E.
登録日2017-08-08
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6AWH
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BU of 6awh by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with ATP and pantothenate analog Deoxy-MeO-N5Pan
分子名称: (2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
登録日2017-09-05
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AVP
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BU of 6avp by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Phosphate-MeO-N5Pan
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(5-methoxypentyl)-beta-alaninamide, ...
著者Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
登録日2017-09-04
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AWG
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BU of 6awg by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with nucleotides and pantothenate analog Deoxy-N190Pan
分子名称: (2R)-N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
登録日2017-09-05
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AWJ
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BU of 6awj by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-MeO-N5Pan with pantothenate present in reaction
分子名称: (2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, Type II pantothenate kinase
著者Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
登録日2017-09-05
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6B5H
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BU of 6b5h by Molmil
ALDH1A2 liganded with NAD and 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
分子名称: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
著者Chen, Y, Zhu, J.-Y, Schonbrunn, E.
登録日2017-09-29
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6AWI
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BU of 6awi by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-N5Pan
分子名称: (2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide, ADENOSINE-5'-DIPHOSPHATE, Type II pantothenate kinase
著者Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
登録日2017-09-05
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6B5G
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BU of 6b5g by Molmil
ALDH1A2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118)
分子名称: (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
著者Chen, Y, Zhu, J.-Y, Schonbrunn, E.
登録日2017-09-29
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018

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件を2024-06-05に公開中

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