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6HD8
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BU of 6hd8 by Molmil
Crystal structure of the potassium channel MtTMEM175 in complex with a Nanobody-MBP fusion protein
分子名称: DODECYL-BETA-D-MALTOSIDE, Nanobody,Maltose/maltodextrin-binding periplasmic protein, POTASSIUM ION, ...
著者Brunner, J.D, Jakob, R.P, Schulze, T, Neldner, Y, Moroni, A, Thiel, G, Maier, T, Schenck, S.
登録日2018-08-17
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for ion selectivity in TMEM175 K+channels.
Elife, 9, 2020
6HDA
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BU of 6hda by Molmil
Crystal structure of the potassium channel MtTMEM175 with cesium
分子名称: CESIUM ION, DODECYL-BETA-D-MALTOSIDE, Nanobody,Maltose/maltodextrin-binding periplasmic protein, ...
著者Brunner, J.D, Jakob, R.P, Schulze, T, Neldner, Y, Moroni, A, Thiel, G, Maier, T, Schenck, S.
登録日2018-08-17
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural basis for ion selectivity in TMEM175 K+channels.
Elife, 9, 2020
6R5W
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BU of 6r5w by Molmil
Crystal structure of the receptor binding protein (gp15) of Listeria phage PSA
分子名称: ACETATE ION, CADMIUM ION, Gp15 protein, ...
著者Dunne, M, Ernst, P, Pluckthun, A, Loessner, M.J, Kilcher, S.
登録日2019-03-25
公開日2019-10-30
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Reprogramming Bacteriophage Host Range through Structure-Guided Design of Chimeric Receptor Binding Proteins.
Cell Rep, 29, 2019
1N05
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BU of 1n05 by Molmil
Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
分子名称: putative Riboflavin kinase
著者Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S.
登録日2002-10-11
公開日2003-02-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003
5Z8R
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BU of 5z8r by Molmil
BRD4 Bromodomain 1 with an inhibitor
分子名称: 1-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4
著者Xiao, S, Chen, S, Chen, H.
登録日2018-02-01
公開日2019-02-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献BRD4 Bromodomain 1 with an inhibitor
To Be Published
6HK3
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BU of 6hk3 by Molmil
Crystal structure of GSK-3B in complex with pyrazine inhibitor C44
分子名称: 3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A.
登録日2018-09-05
公開日2019-07-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
6HK7
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BU of 6hk7 by Molmil
Crystal structure of GSK-3B in complex with pyrazine inhibitor C50
分子名称: 3-azanyl-~{N}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A.
登録日2018-09-05
公開日2019-07-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
5Z8Z
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BU of 5z8z by Molmil
BRD4 Bromodomain 1 with an inhibitor
分子名称: 6-[(3S)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4
著者Xiao, S, Chen, S, Chen, H.
登録日2018-02-01
公開日2019-02-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献BRD4 Bromodomain 1 with an inhibitor
To Be Published
5Z8G
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BU of 5z8g by Molmil
BRD4 Bromodomain 1 with an inhibitor
分子名称: 1-ethyl-6-[(3R)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE
著者Xiao, S, Chen, S, Chen, H.
登録日2018-01-31
公開日2019-02-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献BRD4 Bromodomain 1 with an inhibitor
To Be Published
6R9T
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BU of 6r9t by Molmil
Cryo-EM structure of autoinhibited human talin-1
分子名称: Talin-1
著者Dedden, D, Schumacher, S, Zacharias, M, Biertumpfel, C, Mizuno, N.
登録日2019-04-04
公開日2019-10-16
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (6.2 Å)
主引用文献The Architecture of Talin1 Reveals an Autoinhibition Mechanism.
Cell, 179, 2019
1N06
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BU of 1n06 by Molmil
Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
分子名称: ADENOSINE-5'-DIPHOSPHATE, PUTATIVE riboflavin kinase
著者Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S.
登録日2002-10-11
公開日2003-02-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003
6SWR
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BU of 6swr by Molmil
Crystal structure of the lysosomal potassium channel MtTMEM175 T38A mutant soaked with zinc
分子名称: DODECYL-BETA-D-MALTOSIDE, Nanobody, Maltose/maltodextrin-binding periplasmic protein,Maltodextrin-binding protein,Maltose/maltodextrin-binding periplasmic protein, ...
著者Brunner, J.D, Jakob, R.P, Schulze, T, Neldner, Y, Moroni, A, Thiel, G, Maier, T, Schenck, S.
登録日2019-09-23
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for ion selectivity in TMEM175 K + channels.
Elife, 9, 2020
7F8L
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BU of 7f8l by Molmil
Crystal structure of Bat coronavirus RaTG13 ORF8 accessory protein
分子名称: CALCIUM ION, Nonstructural protein NS8
著者Chen, X, Zhou, Z, Chen, S.
登録日2021-07-02
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献Crystal Structures of Bat and Human Coronavirus ORF8 Protein Ig-Like Domain Provide Insights Into the Diversity of Immune Responses.
Front Immunol, 12, 2021
7TOC
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BU of 7toc by Molmil
Crystal Structure of the Mitochondrial Ketol-acid Reductoisomerase IlvC from Candida auris
分子名称: ACETIC ACID, Ketol-acid reductoisomerase, mitochondrial, ...
著者Kim, Y, Evdokimova, E, Di, R, Stogios, P, Savchenko, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-01-24
公開日2022-02-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Crystal Structure of the Mitochondrial Ketol-acid Reductoisomerase IlvC from Candida auris
To Be Published
7UPZ
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BU of 7upz by Molmil
Structural basis for cell type specific DNA binding of C/EBPbeta: the case of cell cycle inhibitor p15INK4b promoter
分子名称: CCAAT/enhancer-binding protein beta, DNA (5'-D(*AP*TP*TP*CP*TP*TP*AP*AP*GP*AP*AP*AP*GP*AP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*TP*CP*TP*TP*TP*CP*TP*TP*AP*AP*GP*AP*A)-3')
著者Lountos, G.T, Cherry, S, Tropea, J.E, Wlodawer, A, Miller, M.
登録日2022-04-18
公開日2022-11-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.487 Å)
主引用文献Structural basis for cell type specific DNA binding of C/EBP beta : The case of cell cycle inhibitor p15INK4b promoter.
J.Struct.Biol., 214, 2022
7DWS
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BU of 7dws by Molmil
The structure of T4 Lysozyme I3C/C54T/R125C/E128C complex with Zinc ions
分子名称: Endolysin, ZINC ION
著者Chen, X, Chen, S.
登録日2021-01-17
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Rationally designed protein cross-linked hydrogel for bone regeneration via synergistic release of magnesium and zinc ions.
Biomaterials, 274, 2021
5XUK
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BU of 5xuk by Molmil
Crystal structure of Helicobacter pylori holo-[acyl-carrier-protein] synthase (AcpS) in complex with coenzyme A
分子名称: COENZYME A, Holo-[acyl-carrier-protein] synthase
著者Liao, Y.P, Wang, D.L, Yin, D.P, Zhang, Q.Y, Wang, Y.M, Wang, D.Q, Zhu, H.X, Chen, S.
登録日2017-06-23
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of acyl carrier protein synthases (AcpS) from three Gram-negative bacteria
To Be Published
5XU7
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BU of 5xu7 by Molmil
Crystal structure of Escherichia coli holo-[acyl-carrier-protein] synthase (AcpS)
分子名称: CHLORIDE ION, GLYCEROL, Holo-[acyl-carrier-protein] synthase
著者Liao, Y.P, Wang, D.L, Yin, D.P, Zhang, Q.Y, Wang, Y.M, Wang, D.Q, Zhu, H.X, Chen, S.
登録日2017-06-22
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal structures of acyl carrier protein synthases (AcpS) from three Gram-negative bacteria
To Be Published
5XUH
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BU of 5xuh by Molmil
Crystal structure of Escherichia coli holo-[acyl-carrier-protein] synthase (AcpS) D9A mutant in complex with CoA
分子名称: CHLORIDE ION, COENZYME A, GLYCEROL, ...
著者Liao, Y.P, Wang, D.L, Yin, D.P, Zhang, Q.Y, Wang, Y.M, Wang, D.Q, Zhu, H.X, Chen, S.
登録日2017-06-23
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal structures of acyl carrier protein synthases (AcpS) from three Gram-negative bacteria
To Be Published
5XUM
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BU of 5xum by Molmil
Crystal structure of Thermotoga maritima holo-[acyl-carrier-protein] synthase (AcpS)
分子名称: GLYCEROL, Holo-[acyl-carrier-protein] synthase
著者Liao, Y.P, Wang, D.L, Yin, D.P, Zhang, Q.Y, Wang, Y.M, Wang, D.Q, Zhu, H.X, Chen, S.
登録日2017-06-23
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of acyl carrier protein synthases (AcpS) from three Gram-negative bacteria
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
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
6EO1
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BU of 6eo1 by Molmil
The electron crystallography structure of the cAMP-bound potassium channel MloK1 (PCO-refined)
分子名称: Cyclic nucleotide-gated potassium channel mll3241, POTASSIUM ION
著者Kowal, J, Biyani, N, Chami, M, Scherer, S, Rzepiela, A, Baumgartner, P, Upadhyay, V, Nimigean, C, Stahlberg, H.
登録日2017-10-08
公開日2017-12-27
最終更新日2024-05-15
実験手法ELECTRON CRYSTALLOGRAPHY (4.5 Å)
主引用文献High-Resolution Cryoelectron Microscopy Structure of the Cyclic Nucleotide-Modulated Potassium Channel MloK1 in a Lipid Bilayer.
Structure, 26, 2018
1NAW
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BU of 1naw by Molmil
ENOLPYRUVYL TRANSFERASE
分子名称: CYCLOHEXYLAMMONIUM ION, UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYL-TRANSFERASE
著者Schoenbrunn, E, Sack, S, Eschenburg, S, Perrakis, A, Krekel, F, Amrhein, N, Mandelkow, E.
登録日1996-07-23
公開日1997-07-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of UDP-N-acetylglucosamine enolpyruvyltransferase, the target of the antibiotic fosfomycin.
Structure, 4, 1996
7CI3
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BU of 7ci3 by Molmil
The crystal structure of the SARS-CoV-2 ORF7a ectodomain
分子名称: Orf7a protein
著者Zhou, Z, Zhou, Z, Chen, S.
登録日2020-07-07
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insight reveals SARS-CoV-2 ORF7a as an immunomodulating factor for human CD14 + monocytes.
Iscience, 24, 2021
5DXU
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BU of 5dxu by Molmil
p110delta/p85alpha with GDC-0326
分子名称: (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A.
登録日2015-09-23
公開日2016-01-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016

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