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6LQC
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BU of 6lqc by Molmil
Crystal structure of Cyclohexylamine Oxidase from Erythrobacteraceae bacterium
分子名称: Cyclohexylamine Oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Huang, Z.D.
登録日2020-01-13
公開日2020-05-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Asymmetric Synthesis of a Key Dextromethorphan Intermediate and Its Analogues Enabled by a New Cyclohexylamine Oxidase: Enzyme Discovery, Reaction Development, and Mechanistic Insight.
J.Org.Chem., 85, 2020
8IYA
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BU of 8iya by Molmil
Complex of SETDB1-derived peptide bound to UBE2E1
分子名称: Histone-lysine N-methyltransferase SETDB1, SULFATE ION, Ubiquitin-conjugating enzyme E2 E1
著者Du, Y.X, Liu, L.
登録日2023-04-04
公開日2024-01-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure-guided engineering enables E3 ligase-free and versatile protein ubiquitination via UBE2E1.
Nat Commun, 15, 2024
6LQL
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BU of 6lql by Molmil
Complex structure of CHAO with product from Erythrobacteraceae bacterium
分子名称: 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Huang, Z.D.
登録日2020-01-14
公開日2020-06-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Asymmetric Synthesis of a Key Dextromethorphan Intermediate and Its Analogues Enabled by a New Cyclohexylamine Oxidase: Enzyme Discovery, Reaction Development, and Mechanistic Insight.
J.Org.Chem., 85, 2020
5Z0W
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BU of 5z0w by Molmil
Crystal structure of HIV-1 fusion inhibitor SC29EK complexed with gp41 NHR (N36)
分子名称: peptide-C, peptide-N
著者Liu, Z.X, Qin, B, Cui, S.
登録日2017-12-21
公開日2018-01-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Mechanism of HIV-1 Resistance to an Electronically Constrained alpha-Helical Peptide Membrane Fusion Inhibitor
J. Virol., 92, 2018
7DA4
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BU of 7da4 by Molmil
Cryo-EM structure of amyloid fibril formed by human RIPK3
分子名称: Receptor-interacting serine/threonine-protein kinase 3
著者Zhao, K, Ma, Y.Y, Sun, Y.P, Li, D, Liu, C.
登録日2020-10-14
公開日2021-04-28
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.24 Å)
主引用文献The structure of a minimum amyloid fibril core formed by necroptosis-mediating RHIM of human RIPK3.
Proc.Natl.Acad.Sci.USA, 118, 2021
4S1R
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BU of 4s1r by Molmil
Crystal structure of a VRC01-lineage antibody, 45-VRC01.H08.F-117225, in complex with clade A/E HIV-1 gp120 core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab of VRC01 light chain, Fab of VRC01-lineage antibody,45-VRC01.H08.F-117225 heavy chain, ...
著者Kwon, Y.D, Yang, Y, Zhang, B, Kwong, P.D.
登録日2015-01-14
公開日2015-04-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.214 Å)
主引用文献Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection.
Cell(Cambridge,Mass.), 161, 2015
4S1Q
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BU of 4s1q by Molmil
Crystal structure of a VRC01-lineage antibody, 45-VRC01.H03+06.D-001739, in complex with clade A/E HIV-1 gp120 core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab of VRC01 light chain, Fab of VRC01-lineage antibody,45-VRC01.H03+06.D-001739 heavy chain, ...
著者Kwon, Y.D, Yang, Y, Zhang, B, Kwong, P.D.
登録日2015-01-14
公開日2015-04-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection.
Cell(Cambridge,Mass.), 161, 2015
4S1S
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BU of 4s1s by Molmil
Crystal structure of a VRC01-lineage antibody, 45-VRC01.H5.F-185917, in complex with clade A/E HIV-1 gp120 core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fab of VRC01 light chain, ...
著者Kwon, Y.D, Yang, Y, Zhang, B, Kwong, P.D.
登録日2015-01-14
公開日2015-04-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.39 Å)
主引用文献Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection.
Cell(Cambridge,Mass.), 161, 2015
7X7D
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BU of 7x7d by Molmil
SARS-CoV-2 Delta RBD and Nb22
分子名称: Nb22, Spike protein S1
著者Wang, Y, Ye, S.
登録日2022-03-09
公開日2022-04-13
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Short-Term Instantaneous Prophylaxis and Efficient Treatment Against SARS-CoV-2 in hACE2 Mice Conferred by an Intranasal Nanobody (Nb22).
Front Immunol, 13, 2022
7X7E
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BU of 7x7e by Molmil
SARS-CoV-2 RBD and Nb22
分子名称: Nb22, Spike protein S1, TETRAETHYLENE GLYCOL
著者Wang, Y, Ye, S.
登録日2022-03-09
公開日2022-04-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Short-Term Instantaneous Prophylaxis and Efficient Treatment Against SARS-CoV-2 in hACE2 Mice Conferred by an Intranasal Nanobody (Nb22).
Front Immunol, 13, 2022
4FZ8
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BU of 4fz8 by Molmil
Crystal structure of C11 Fab, an ADCC mediating anti-HIV-1 antibody.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB heavy chain of human ANTI-HIV-1 ENV ANTIBODY C11, FAB light chain of human ANTI-HIV-1 ENV ANTIBODY C11, ...
著者Wu, X, Tolbert, W.D, Pazgier, M.
登録日2012-07-06
公開日2013-07-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Recognition Patterns of the C1/C2 Epitopes Involved in Fc-Mediated Response in HIV-1 Natural Infection and the RV114 Vaccine Trial.
Mbio, 11, 2020
4RFE
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BU of 4rfe by Molmil
Crystal structure of ADCC-potent ANTI-HIV-1 Rhesus macaque antibody JR4 Fab
分子名称: CHLORIDE ION, Fab heavy chain of ADCC-potent anti-HIV-1 antibody JR4, Fab light chain of ADCC-potent anti-HIV-1 antibody JR4, ...
著者Wu, X, Gohain, N, Tolbert, W.D, Pazgier, M.
登録日2014-09-25
公開日2015-07-15
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Cocrystal Structures of Antibody N60-i3 and Antibody JR4 in Complex with gp120 Define More Cluster A Epitopes Involved in Effective Antibody-Dependent Effector Function against HIV-1.
J.Virol., 89, 2015
5DH3
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BU of 5dh3 by Molmil
Crystal structure of MST2 in complex with XMU-MP-1
分子名称: 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SULFATE ION, ...
著者Kong, L.L, Yun, C.H.
登録日2015-08-29
公開日2016-08-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.468 Å)
主引用文献Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration
Sci Transl Med, 8, 2016
4W5S
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BU of 4w5s by Molmil
Tankyrase in complex with compound
分子名称: 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one, GLYCEROL, Tankyrase-1, ...
著者Johannes, J, Kazmirski, S.L, Boriack-Sjodin, P.A, Howard, T.
登録日2014-08-18
公開日2015-05-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
4W5X
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BU of 4w5x by Molmil
The structure of Vaccina virus H7 protein displays A Novel Phosphoinositide binding fold required for membrane biogenesis
分子名称: Late protein H7
著者Kolli, S, Deng, J.
登録日2014-08-19
公開日2014-12-31
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Structure-function analysis of vaccinia virus h7 protein reveals a novel phosphoinositide binding fold essential for poxvirus replication.
J.Virol., 89, 2015
9J0K
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BU of 9j0k by Molmil
An agonist(compound 14e)of Thyroid Hormone Receptor B
分子名称: 2-[[7-[3-(aminomethyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
著者Yao, B, Li, Y.
登録日2024-08-02
公開日2025-07-02
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Discovery of a Potent, Selective, and Multiple His435 Mutation-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 2025
9IX5
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BU of 9ix5 by Molmil
An agonist(compound 15n) of Thyroid Hormone Receptor B
分子名称: 2-[(1-methoxy-7-naphthalen-2-yloxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
著者Yao, B, Li, Y.
登録日2024-07-26
公開日2025-07-02
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of a Potent, Selective, and Multiple His435 Mutation-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 2025
5Y93
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BU of 5y93 by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-22
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
4W6E
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BU of 4w6e by Molmil
Human Tankyrase 1 with small molecule inhibitor
分子名称: 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, Tankyrase-1, ZINC ION
著者Kazmirski, S.L, Johannes, J, Boriack-Sjodin, P.A, Howard, T.
登録日2014-08-20
公開日2015-05-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
5X57
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BU of 5x57 by Molmil
Structure of GAR domain of ACF7
分子名称: Microtubule-actin cross-linking factor 1, isoforms 1/2/3/5, NICKEL (II) ION
著者Yang, F, Wang, T, Zhang, Y, Wu, X.Y.
登録日2017-02-15
公開日2017-07-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献ACF7 regulates inflammatory colitis and intestinal wound response by orchestrating tight junction dynamics.
Nat Commun, 8, 2017
6Z7X
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BU of 6z7x by Molmil
Insulin analytical antibody OXI-005 Fab
分子名称: OXI-005 Fab Heavy chain, OXI-005 Fab Light chain
著者Johansson, E.
登録日2020-06-02
公開日2020-12-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Insulin binding to the analytical antibody sandwich pair OXI-005 and HUI-018: Epitope mapping and binding properties.
Protein Sci., 30, 2021
6Z7Y
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BU of 6z7y by Molmil
Human insulin in complex with the analytical antibody OXI-005 Fab
分子名称: Insulin, OXI-005 Fab Heavy chain, OXI-005 Fab Light chain
著者Johansson, E.
登録日2020-06-02
公開日2020-12-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Insulin binding to the analytical antibody sandwich pair OXI-005 and HUI-018: Epitope mapping and binding properties.
Protein Sci., 30, 2021
6Z7Z
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BU of 6z7z by Molmil
Porcine insulin in complex with the analytical antibody OXI-005 Fab
分子名称: Insulin, MAGNESIUM ION, OXI-005 Fab Heavy chain, ...
著者Johansson, E.
登録日2020-06-02
公開日2020-12-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Insulin binding to the analytical antibody sandwich pair OXI-005 and HUI-018: Epitope mapping and binding properties.
Protein Sci., 30, 2021
6Z7W
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BU of 6z7w by Molmil
Human insulin in complex with the analytical antibody HUI-018 Fab
分子名称: HUI-018 Fab Heavy Chain, Insulin, MAb 6H10 light chain
著者Johansson, E.
登録日2020-06-02
公開日2020-12-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Insulin binding to the analytical antibody sandwich pair OXI-005 and HUI-018: Epitope mapping and binding properties.
Protein Sci., 30, 2021
7O7G
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Crystal structure of the Shewanella oneidensis MR1 MtrC mutant H561M
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Edwards, M.J, van Wonderen, J.H, Newton-Payne, S.E, Butt, J.N, Clarke, T.A.
登録日2021-04-13
公開日2021-10-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Nanosecond heme-to-heme electron transfer rates in a multiheme cytochrome nanowire reported by a spectrally unique His/Met-ligated heme.
Proc.Natl.Acad.Sci.USA, 118, 2021

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件を2025-07-09に公開中

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