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3V81
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BU of 3v81 by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and the nonnucleoside inhibitor nevirapine
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ...
著者Das, K, Martinez, S.E, Arnold, E.
登録日2011-12-22
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8503 Å)
主引用文献HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.
Nat.Struct.Mol.Biol., 19, 2012
2GP4
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BU of 2gp4 by Molmil
Structure of [FeS]cluster-free Apo Form of 6-Phosphogluconate Dehydratase from Shewanella oneidensis
分子名称: 6-phosphogluconate dehydratase
著者Schormann, N, Symersky, J, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2006-04-16
公開日2006-05-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure of [FeS]cluster-free Apo Form of 6-Phosphogluconate Dehydratase from Shewanella oneidensis
To be Published
4QQ4
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BU of 4qq4 by Molmil
CW-type zinc finger of MORC3 in complex with the amino terminus of histone H3
分子名称: CHLORIDE ION, Histone H3.3, MORC family CW-type zinc finger protein 3, ...
著者Liu, Y, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-06-26
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Family-wide Characterization of Histone Binding Abilities of Human CW Domain-containing Proteins.
J.Biol.Chem., 291, 2016
8AVY
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BU of 8avy by Molmil
The ABCB1 L335C mutant (mABCB1) in the Apo state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, CHOLESTEROL HEMISUCCINATE, ...
著者Parey, K, Januliene, D, Gewering, T, Moeller, A.
登録日2022-08-27
公開日2023-09-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
6WU8
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BU of 6wu8 by Molmil
Structure of human SHP2 in complex with inhibitor IACS-13909
分子名称: 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Leonard, P.G, Joseph, S, Rodenberger, A.
登録日2020-05-04
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Allosteric SHP2 Inhibitor, IACS-13909, Overcomes EGFR-Dependent and EGFR-Independent Resistance Mechanisms toward Osimertinib.
Cancer Res., 80, 2020
4RNN
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BU of 4rnn by Molmil
Crystal structure of human polymerase eta inserting dGMPnPP opposite DNA template containing an abasic site
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA polymerase eta, GLYCEROL, ...
著者Patra, A, Egli, M.
登録日2014-10-24
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.808 Å)
主引用文献Structural and Kinetic Analysis of Nucleoside Triphosphate Incorporation Opposite an Abasic Site by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 290, 2015
4ZHW
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BU of 4zhw by Molmil
Crystal structure of a bacterial signalling protein (N-terminal truncation)
分子名称: YfiB
著者Li, S, Li, T, Wang, Y, Bartlam, M.
登録日2015-04-27
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1
Sci Rep, 5, 2015
7N89
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BU of 7n89 by Molmil
Room-temperature X-ray structure of SARS-CoV-2 main protease C145A mutant in complex with substrate Ac-SAVLQSGF-CONH2
分子名称: 3C-like proteinase, ACE-SER-ALA-VAL-LEU-GLN-SER-GLY-PHE-NH2
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-06-14
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Michaelis-like complex of SARS-CoV-2 main protease visualized by room-temperature X-ray crystallography.
Iucrj, 8, 2021
4ZHY
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BU of 4zhy by Molmil
Crystal structure of a bacterial signalling complex
分子名称: FORMIC ACID, SULFATE ION, YfiB, ...
著者Li, S, Li, T, Wang, Y, Bartlam, M.
登録日2015-04-27
公開日2016-04-27
実験手法X-RAY DIFFRACTION (1.969 Å)
主引用文献Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1
Sci Rep, 5, 2015
4RNM
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BU of 4rnm by Molmil
Crystal structure of human polymerase eta inserting dAMPnPP opposite DNA template containing an abasic site
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA Primar: AGCGTCAT, DNA Template: CAT(3DR)ATGACGCT, ...
著者Patra, A, Egli, M.
登録日2014-10-24
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.144 Å)
主引用文献Structural and Kinetic Analysis of Nucleoside Triphosphate Incorporation Opposite an Abasic Site by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 290, 2015
4ZHV
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BU of 4zhv by Molmil
Crystal structure of a bacterial signalling protein
分子名称: SULFATE ION, YfiB
著者Li, S, Li, T, Wang, Y, Bartlam, M.
登録日2015-04-27
公開日2016-04-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.585 Å)
主引用文献Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1
Sci Rep, 5, 2015
4RQL
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BU of 4rql by Molmil
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene - sabinene
分子名称: 1,2-ETHANEDIOL, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
著者Shah, M.B.
登録日2014-11-03
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.105 Å)
主引用文献Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
4RRT
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BU of 4rrt by Molmil
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with (+)-3-carene
分子名称: (+)-3-carene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
著者Shah, M.B.
登録日2014-11-06
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
4RNO
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BU of 4rno by Molmil
Crystal structure of human polymerase eta extending an abasic site-dA pair by inserting dCTP opposite template G
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase eta, ...
著者Patra, A, Egli, M.
登録日2014-10-24
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structural and Kinetic Analysis of Nucleoside Triphosphate Incorporation Opposite an Abasic Site by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 290, 2015
4RUI
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BU of 4rui by Molmil
Crystal structure of a cytochrome P450 2A6 in complex with a monoterpene - sabinene.
分子名称: Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE, Sabinene
著者Shah, M.B, Stout, C.D, Halpert, J.R.
登録日2014-11-19
公開日2015-01-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
5ZKZ
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BU of 5zkz by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase II(Y77F) Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION, ...
著者Zhang, X, Wan, Q.
登録日2018-03-26
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structures of Endo-beta-1,4-xylanase II
to be published
2DDY
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BU of 2ddy by Molmil
Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor
分子名称: (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE, CALCIUM ION, Matrilysin, ...
著者Zheng, X.H, Ou, L.
登録日2006-02-06
公開日2007-02-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor
to be published
4ZHU
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BU of 4zhu by Molmil
Crystal structure of a bacterial repressor protein
分子名称: SULFATE ION, YfiR
著者Li, S, Li, T, Wang, Y, Bartlam, M.
登録日2015-04-27
公開日2016-04-27
実験手法X-RAY DIFFRACTION (2.3968 Å)
主引用文献Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1
Sci Rep, 5, 2015
5ZIW
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BU of 5ziw by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase(Y77F)
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION
著者Zhang, X, Wan, Q.
登録日2018-03-17
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structures of Endo-beta-1,4-xylanase II
to be published
5ZII
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BU of 5zii by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase II (Y88F)Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Zhang, X, Wan, Q.
登録日2018-03-15
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structures of Endo-beta-1,4-xylanase II
to be published
2EA2
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BU of 2ea2 by Molmil
h-MetAP2 complexed with A773812
分子名称: 3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2
著者Park, C.H.
登録日2007-01-30
公開日2008-02-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Lead optimization of methionine aminopeptidase-2 (MetAP2) inhibitors containing sulfonamides of 5,6-disubstituted anthranilic acids
Bioorg.Med.Chem.Lett., 17, 2007
7WHD
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BU of 7whd by Molmil
SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (2u1d)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Zeng, J.W, Wang, X.W, Ge, J.W, Wang, Z.Y.
登録日2021-12-30
公開日2023-01-18
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
7WH8
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BU of 7wh8 by Molmil
SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (focused refinement on Fab-RBD)
分子名称: Spike glycoprotein, antibody ZB8 heavy chain, antibody ZB8 light chain
著者Zeng, J.W.
登録日2021-12-30
公開日2023-01-18
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
7WHB
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BU of 7whb by Molmil
SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (3U)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Zeng, J.W, Ge, J.W, Wang, X.Q.
登録日2021-12-30
公開日2023-01-18
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.67 Å)
主引用文献SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
2EA4
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h-MetAP2 complexed with A797859
分子名称: 2-(2-AMINOETHOXY)-3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2
著者Park, C.H.
登録日2007-01-30
公開日2008-02-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Lead optimization of methionine aminopeptidase-2 (MetAP2) inhibitors containing sulfonamides of 5,6-disubstituted anthranilic acids
Bioorg.Med.Chem.Lett., 17, 2007

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