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7LR3
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BU of 7lr3 by Molmil
Complex of Fab 2/6.14 with domain 3 of P. berghei HAP2
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, D3_2/6.14 Fab heavy chain, D3_2/6.14 Fab light chain, ...
著者Feng, J, Dong, X.C, Lu, C.F, Springer, T.A.
登録日2021-02-15
公開日2021-12-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of malaria transmission blockade by a monoclonal antibody to gamete fusogen HAP2.
Elife, 10, 2021
7LR4
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BU of 7lr4 by Molmil
Complex of Fab 2/1.12 with domain 3 of P. berghei HAP2
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, D3_2/1.12 Fab heavy chain, D3_2/1.12 Fab light chain, ...
著者Feng, J, Dong, X.C, Su, Y, Lu, X.F, Springer, T.A.
登録日2021-02-15
公開日2021-12-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of malaria transmission blockade by a monoclonal antibody to gamete fusogen HAP2.
Elife, 10, 2021
6RN8
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BU of 6rn8 by Molmil
RIP2 Kinase Catalytic Domain complex with 2(4[(1,3benzothiazol5yl)amino]6(2methylpropane2sulfonyl)quinazolin7yl)oxy)ethyl phosphate
分子名称: 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethyl dihydrogen phosphate, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2
著者Convery, M.A, Haile, P.A.
登録日2019-05-08
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethyl Dihydrogen Phosphate, for the Treatment of Inflammatory Diseases.
J.Med.Chem., 62, 2019
6RNA
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BU of 6rna by Molmil
RIP2 Kinase Catalytic Domain complex with 2({4[(1,3benzothiazol5yl)amino]6(2methylpropane2sulfonyl)quinazolin7yl}oxy)ethan1ol
分子名称: 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol, Receptor-interacting serine/threonine-protein kinase 2
著者Convery, M.A, Haile, P.A.
登録日2019-05-08
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethyl Dihydrogen Phosphate, for the Treatment of Inflammatory Diseases.
J.Med.Chem., 62, 2019
3E9F
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BU of 3e9f by Molmil
Crystal structure short-form (residue1-113) of Eaf3 chromo domain
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Chromatin modification-related protein EAF3
著者Sun, B, Hong, J, Zhang, P, Lin, D, Ding, J.
登録日2008-08-22
公開日2008-11-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular Basis of the Interaction of Saccharomyces cerevisiae Eaf3 Chromo Domain with Methylated H3K36
J.Biol.Chem., 283, 2008
3E9G
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BU of 3e9g by Molmil
Crystal structure long-form (residue1-124) of Eaf3 chromo domain
分子名称: Chromatin modification-related protein EAF3
著者Sun, B, Hong, J, Zhang, P, Lin, D, Ding, J.
登録日2008-08-22
公開日2008-11-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular Basis of the Interaction of Saccharomyces cerevisiae Eaf3 Chromo Domain with Methylated H3K36
J.Biol.Chem., 283, 2008
6HMX
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BU of 6hmx by Molmil
RIP2 Kinase Catalytic Domain complex with N(4,5dimethyl1Hpyrazol3yl)7methoxy6(2methylpropane2sulfonyl)quinolin4amine
分子名称: 6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine, Receptor-interacting serine/threonine-protein kinase 2
著者Convery, M.A, Haile, P.A.
登録日2018-09-13
公開日2018-11-07
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Identification of Quinoline-Based RIP2 Kinase Inhibitors with an Improved Therapeutic Index to the hERG Ion Channel.
ACS Med Chem Lett, 9, 2018
9JAL
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BU of 9jal by Molmil
Cryo-EM structure of MPXV core protease in complex with compound A1
分子名称: A1ECM-DI8-ALA-ETA, Core protease I7
著者Gao, Y, Xie, X, Lan, W, Wang, W, Yang, H.
登録日2024-08-25
公開日2025-03-12
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Substrate recognition and cleavage mechanism of the monkeypox virus core protease.
Nature, 2025
9JAN
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BU of 9jan by Molmil
Cryo-EM structure of MPXV protease in complex with compound A4
分子名称: A1ECL-DI8-ALA-AEM, Core protease I7
著者Gao, Y, Xie, X, Lan, W, Wang, W, Yang, H.
登録日2024-08-25
公開日2025-03-12
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Substrate recognition and cleavage mechanism of the monkeypox virus core protease.
Nature, 2025
9JAM
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BU of 9jam by Molmil
Cryo-EM structure of MPXV core protease in complex with compound A3
分子名称: A1ECK-DI8-ALA-AEM, Core protease I7
著者Gao, Y, Xie, X, Lan, W, Wang, W, Yang, H.
登録日2024-08-25
公開日2025-03-12
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Substrate recognition and cleavage mechanism of the monkeypox virus core protease.
Nature, 2025
9INR
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BU of 9inr by Molmil
Crystal structure of PIN1 in complex with inhibitor C3
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ...
著者Zhang, L.J, Zhang, L.Y.
登録日2024-07-08
公開日2024-09-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Re-Evaluating PIN1 as a Therapeutic Target in Oncology Using Neutral Inhibitors and PROTACs.
J.Med.Chem., 67, 2024
6LLB
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BU of 6llb by Molmil
Crystal structure of mpy-RNase J (mutant S247A), an archaeal RNase J from Methanolobus psychrophilus R15, in complex with 6 nt RNA
分子名称: MPY-RNase J, RNA (5'-R(P*AP*AP*AP*AP*AP*A)-3'), SULFATE ION, ...
著者Li, D.F, Hou, Y.J, Guo, L.
登録日2019-12-22
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A newly identified duplex RNA unwinding activity of archaeal RNase J depends on processive exoribonucleolysis coupled steric occlusion by its structural archaeal loops.
Rna Biol., 17, 2020
5NE4
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BU of 5ne4 by Molmil
Crystal Structure of Foot and Mouth Disease Virus O PanAsia
分子名称: O PanAsia VP1, O PanAsia VP2, O PanAsia VP4, ...
著者Kotecha, A, StuarT, D.
登録日2017-03-09
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rules of engagement between alpha v beta 6 integrin and foot-and-mouth disease virus.
Nat Commun, 8, 2017
5NED
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BU of 5ned by Molmil
CryoEM Structure of Foot and Mouth Disease Virus O PanAsia
分子名称: O PanAsia VP1, O PanAsia VP2, O PanAsia VP3, ...
著者Kotecha, A, Stuart, D.
登録日2017-03-10
公開日2017-06-21
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Rules of engagement between alpha v beta 6 integrin and foot-and-mouth disease virus.
Nat Commun, 8, 2017
5NEJ
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BU of 5nej by Molmil
CryoEM Structure of Foot and Mouth Disease Virus O1 Manisa
分子名称: O1 Manisa VP1, O1 Manisa VP2, O1 Manisa VP3
著者Kotecha, A, Stuart, D.
登録日2017-03-10
公開日2017-06-21
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Rules of engagement between alpha v beta 6 integrin and foot-and-mouth disease virus.
Nat Commun, 8, 2017
5NET
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BU of 5net by Molmil
Localised Reconstruction of Integrin alpha V beta 6 bound to Foot and Mouth Disease Virus O1 Manisa - Pose A.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V, ...
著者Kotecha, A, Stuart, D.
登録日2017-03-11
公開日2017-06-21
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (8.6 Å)
主引用文献Rules of engagement between alpha v beta 6 integrin and foot-and-mouth disease virus.
Nat Commun, 8, 2017
5NEU
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BU of 5neu by Molmil
Localised Reconstruction of Integrin alpha V beta 6 bound to Foot and Mouth Disease Virus O1 Manisa - Pose B.
分子名称: CALCIUM ION, Capsid protein, Integrin alpha-V, ...
著者Kotecha, A, Stuart, D.
登録日2017-03-11
公開日2017-06-21
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (12.3 Å)
主引用文献Rules of engagement between alpha v beta 6 integrin and foot-and-mouth disease virus.
Nat Commun, 8, 2017
5NEM
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BU of 5nem by Molmil
Localised reconstruction of alpha v beta 6 bound to Foot and Mouth Disease Virus O PanAsia - Pose A.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V, ...
著者Kotecha, A, Stuart, D.
登録日2017-03-10
公開日2017-06-21
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (10.8 Å)
主引用文献Rules of engagement between alpha v beta 6 integrin and foot-and-mouth disease virus.
Nat Commun, 8, 2017
5NER
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BU of 5ner by Molmil
Localised reconstruction of alpha v beta 6 bound to Foot and Mouth Disease Virus O PanAsia - Pose A prime.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V, ...
著者Kotecha, A, Stuart, D.
登録日2017-03-11
公開日2017-06-21
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (11.5 Å)
主引用文献Rules of engagement between alpha v beta 6 integrin and foot-and-mouth disease virus.
Nat Commun, 8, 2017
5TX5
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BU of 5tx5 by Molmil
Rip1 Kinase ( flag 1-294, C34A, C127A, C233A, C240A) with GSK772
分子名称: 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
著者Campobasso, N, Ward, P, Thrope, J.
登録日2016-11-15
公開日2017-07-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases.
J. Med. Chem., 60, 2017
6KVA
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BU of 6kva by Molmil
Structure of anti-hCXCR2 abN48-2 in complex with its CXCR2 epitope
分子名称: 1,2-ETHANEDIOL, Peptide from C-X-C chemokine receptor type 2, heavy chain, ...
著者Xiang, J.C, Yan, L, Yang, B, Wilson, I.A.
登録日2019-09-03
公開日2020-09-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms.
Nat Commun, 12, 2021
7MK3
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BU of 7mk3 by Molmil
Crystal structure of NPR1
分子名称: CHLORIDE ION, GLYCEROL, Regulatory protein NPR1, ...
著者Cheng, J, Wu, Q, Zhou, P.
登録日2021-04-21
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
7TAE
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BU of 7tae by Molmil
Crystal Structure of the NPR1-Interacting Domain of TGA3
分子名称: GLYCEROL, PALMITIC ACID, Transcription factor TGA3
著者Cheng, J, Zhou, P.
登録日2021-12-20
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
8TCF
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BU of 8tcf by Molmil
Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf
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, CALCIUM ION, ...
著者Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D.
登録日2023-06-30
公開日2023-09-27
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
8TCG
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BU of 8tcg by Molmil
Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ...
著者Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D.
登録日2023-06-30
公開日2023-09-27
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023

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件を2025-07-09に公開中

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