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6IVP
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BU of 6ivp by Molmil
Crystal structure of a membrane protein P262A
分子名称: CHLORIDE ION, ZINC ION, bestrophin
著者Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
登録日2018-12-04
公開日2019-11-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
6IVM
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BU of 6ivm by Molmil
Crystal structure of a membrane protein P143A
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
著者Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
登録日2018-12-04
公開日2019-11-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
6IVO
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BU of 6ivo by Molmil
Crystal structure of a membrane protein P208A
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
著者Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
登録日2018-12-04
公開日2019-11-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
6IV4
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BU of 6iv4 by Molmil
Crystal structure of a bacterial Bestrophin homolog from Klebsiella pneumoniae with a mutation W252F
分子名称: Bestrophin homolog, ZINC ION
著者Kittredge, A, Chen, S, Yang, T.
登録日2018-12-02
公開日2019-11-13
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
6IVR
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BU of 6ivr by Molmil
Crystal structure of a membrane protein W16A
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
著者Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
登録日2018-12-04
公開日2019-11-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
6IV1
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BU of 6iv1 by Molmil
Crystal structure of a bacterial Bestrophin homolog from Klebsiella pneumoniae with a mutation I180T
分子名称: Bestrophin homolog, ZINC ION
著者Kittredge, A, Chen, S, Yang, T.
登録日2018-12-02
公開日2019-11-13
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
5X87
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BU of 5x87 by Molmil
Crystal structure of a bacterial Bestrophin homolog from Klebsiella pneumoniae with a mutation L177T
分子名称: Bestrophin, ZINC ION
著者Zhang, Y, Chen, S, Yang, T.
登録日2017-03-01
公開日2017-11-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Patient-specific mutations impair BESTROPHIN1's essential role in mediating Ca2+-dependent Cl-currents in human RPE.
Elife, 6, 2017
6XKQ
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BU of 6xkq by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-250
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CV07-250 Heavy Chain, CV07-250 Light Chain, ...
著者Yuan, M, Liu, H, Zhu, X, Wu, N.C, Wilson, I.A.
登録日2020-06-26
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献A Therapeutic Non-self-reactive SARS-CoV-2 Antibody Protects from Lung Pathology in a COVID-19 Hamster Model.
Cell, 183, 2020
6XKP
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BU of 6xkp by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-270
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CV07-270 Heavy Chain, CV07-270 Light Chain, ...
著者Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A.
登録日2020-06-26
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献A Therapeutic Non-self-reactive SARS-CoV-2 Antibody Protects from Lung Pathology in a COVID-19 Hamster Model.
Cell, 183, 2020
7S5Q
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BU of 7s5q by Molmil
Crystal structure of SARS-CoV-2 B.1.351 variant receptor binding domain in complex with neutralizing antibodies CS44 and COVA1-16
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 Heavy chain, ...
著者Yuan, M, Wilson, I.A.
登録日2021-09-11
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献SARS-CoV-2 Beta variant infection elicits potent lineage-specific and cross-reactive antibodies.
Science, 375, 2022
7S5P
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BU of 7s5p by Molmil
Crystal structure of SARS-CoV-2 B.1.351 variant receptor binding domain in complex with neutralizing antibody CS23
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CS23 Heavy chain, ...
著者Yuan, M, Wilson, I.A.
登録日2021-09-11
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献SARS-CoV-2 Beta variant infection elicits potent lineage-specific and cross-reactive antibodies.
Science, 375, 2022
7S5R
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BU of 7s5r by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibodies CV07-287 and COVA1-16
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 Heavy chain, ...
著者Yuan, M, Wilson, I.A.
登録日2021-09-11
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献SARS-CoV-2 Beta variant infection elicits potent lineage-specific and cross-reactive antibodies.
Science, 375, 2022
7PUS
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BU of 7pus by Molmil
ERK5 in complex with Pyrrole Carboxamide scaffold
分子名称: 4-[3,6-bis(chloranyl)-2-fluoranyl-phenyl]carbonyl-~{N}-(1-methylpyrazol-4-yl)-1~{H}-pyrrole-2-carboxamide, Mitogen-activated protein kinase 7
著者Tucker, J.A, Martin, M.P, Endicott, J.A, Noble, M.E.N.
登録日2021-09-30
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Parallel Optimization of Potency and Pharmacokinetics Leading to the Discovery of a Pyrrole Carboxamide ERK5 Kinase Domain Inhibitor.
J.Med.Chem., 65, 2022
5LRQ
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BU of 5lrq by Molmil
BRD4 in complex with ERK5 inhibitor XMD8-92
分子名称: 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4
著者Martin, M.P, Noble, M.E.M.
登録日2016-08-19
公開日2017-08-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4.
Eur.J.Med.Chem., 178, 2019
3FT5
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BU of 3ft5 by Molmil
Structure of HSP90 bound with a novel fragment
分子名称: 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine, Heat shock protein HSP 90-alpha
著者Barker, J.B, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B.
登録日2009-01-12
公開日2009-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-based Identification of Hsp90 Inhibitors.
Chemmedchem, 4, 2009
3FT8
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BU of 3ft8 by Molmil
Structure of HSP90 bound with a noval fragment.
分子名称: (5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime, Heat shock protein HSP 90-alpha
著者Barker, J.B, Cheng, R.K.Y, Palan, S, Felicetti, B.
登録日2009-01-12
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-based identification of Hsp90 inhibitors.
Chemmedchem, 4, 2009
5JZD
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BU of 5jzd by Molmil
A re-refinement of the isochorismate synthase EntC
分子名称: (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, Isochorismate synthase EntC, MAGNESIUM ION
著者Meneely, K.M, Lamb, A.L.
登録日2016-05-16
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献An Open and Shut Case: The Interaction of Magnesium with MST Enzymes.
J.Am.Chem.Soc., 138, 2016
3HWO
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BU of 3hwo by Molmil
Crystal structure of Escherichia coli enterobactin-specific isochorismate synthase EntC in complex with isochorismate
分子名称: (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, Isochorismate synthase entC, MAGNESIUM ION
著者Sridharan, S, Blundell, T.L.
登録日2009-06-18
公開日2010-02-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Escherichia coli Enterobactin-specific Isochorismate Synthase (EntC) Bound to its Reaction Product Isochorismate: Implications for the Enzyme Mechanism and Differential Activity of Chorismate-utilizing Enzymes
J.Mol.Biol., 397, 2010
5O7I
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BU of 5o7i by Molmil
ERK5 in complex with a pyrrole inhibitor
分子名称: 4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 7
著者Tucker, J.A, Heptinstall, A, Myers, S.
登録日2017-06-08
公開日2018-06-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4.
Eur.J.Med.Chem., 178, 2019
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