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6MLC
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PHD6 domain of MLL3 in complex with histone H4
分子名称: GLYCEROL, Histone H4, Histone-lysine N-methyltransferase 2C, ...
著者Dong, A, Liu, Y, Qin, S, Lei, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2018-09-27
公開日2018-10-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into trans-histone regulation of H3K4 methylation by unique histone H4 binding of MLL3/4.
Nat Commun, 10, 2019
7PCE
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BurG (apo): Biosynthesis of cyclopropanol rings in bacterial toxins
分子名称: ADENOSINE-5'-DIPHOSPHATE, Ketol-acid reductoisomerase, PHOSPHATE ION
著者Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C.
登録日2021-08-03
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
6MT3
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BU of 6mt3 by Molmil
Crystal Structure of HLA-B*18:01 in complex with NP338 influenza peptide
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-18 alpha chain, ...
著者Gras, S.
登録日2018-10-19
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Broad CD8+T cell cross-recognition of distinct influenza A strains in humans.
Nat Commun, 9, 2018
6MTL
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Crystal Structure of HLA-B*44:05 in complex with NP338 influenza peptide
分子名称: ACETATE ION, Beta-2-microglobulin, MHC class I antigen, ...
著者Gras, S.
登録日2018-10-19
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Broad CD8+T cell cross-recognition of distinct influenza A strains in humans.
Nat Commun, 9, 2018
6MTO
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BU of 6mto by Molmil
Crystal structure of VRC42.01 Fab in complex with T117-F MPER scaffold
分子名称: Antibody VRC42.01 Fab heavy chain, Antibody VRC42.01 Fab light chain, VRC42 epitope T117-F scaffold
著者Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D.
登録日2018-10-21
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.634 Å)
主引用文献Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
6MTR
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BU of 6mtr by Molmil
Crystal structure of VRC43.01 Fab
分子名称: Antibody VRC43.01 Fab heavy chain, Antibody VRC43.01 Fab light chain
著者Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D.
登録日2018-10-21
公開日2019-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
6MP0
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BU of 6mp0 by Molmil
Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with the TRP1-M9 peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, TRP1-M9 peptide, Beta-2-microglobulin,H-2 class I histocompatibility antigen, ...
著者Clancy-Thompson, E, Devlin, C.A, Birnbaum, M.E, Dougan, S.K.
登録日2018-10-05
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Altered Binding of Tumor Antigenic Peptides to MHC Class I Affects CD8+T Cell-Effector Responses.
Cancer Immunol Res, 6, 2018
8IRZ
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BU of 8irz by Molmil
Carbon Sulfoxide lyase
分子名称: PYRIDOXAL-5'-PHOSPHATE, Probable hercynylcysteine sulfoxide lyase
著者Gong, W.M, Wei, L.L, Liu, L.
登録日2023-03-20
公開日2024-03-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Structure of mycobacterial ergothioneine-biosynthesis C-S lyase EgtE.
J.Biol.Chem., 300, 2024
6MPH
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BU of 6mph by Molmil
Cryo-EM structure at 3.8 A resolution of HIV-1 fusion peptide-directed antibody, DF1W-a.01, elicited by vaccination of Rhesus macaques, in complex with stabilized HIV-1 Env BG505 DS-SOSIP, which was also bound to antibodies VRC03 and PGT122
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, DF1W-a.01 Light chain, ...
著者Acharya, P, Xu, K, Kwong, P.D.
登録日2018-10-06
公開日2019-07-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
8J72
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BU of 8j72 by Molmil
Crystal structure of mammalian Trim71 in complex with lncRNA Trincr1
分子名称: E3 ubiquitin-protein ligase TRIM71, lncRNA Trincr1
著者Shi, F.D, Zhang, K, Che, S.Y, Zhi, S.X, Yang, N.
登録日2023-04-27
公開日2024-03-06
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Molecular mechanism governing RNA-binding property of mammalian TRIM71 protein.
Sci Bull (Beijing), 69, 2024
7PZX
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BU of 7pzx by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
分子名称: (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-((4-((S)-2-hydroxy-1-methoxyethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
登録日2021-10-13
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
5QDB
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BU of 5qdb by Molmil
Crystal structure of BACE complex with BMC002
分子名称: (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione, Beta-secretase 1
著者Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
登録日2017-12-01
公開日2020-06-03
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
8IS0
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BU of 8is0 by Molmil
Carbon Sulfoxide lyase - Y106F
分子名称: 2-AMINO-ACRYLIC ACID, PYRIDOXAL-5'-PHOSPHATE, Probable hercynylcysteine sulfoxide lyase
著者Gong, W.M, Wei, L.L, Liu, L.
登録日2023-03-20
公開日2024-03-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Structure of mycobacterial ergothioneine-biosynthesis C-S lyase EgtE.
J.Biol.Chem., 300, 2024
5C3T
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BU of 5c3t by Molmil
PD-1 binding domain from human PD-L1
分子名称: Programmed cell death 1 ligand 1
著者Zak, K.M, Dubin, G, Holak, T.A.
登録日2015-06-17
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the Complex of Human Programmed Death 1, PD-1, and Its Ligand PD-L1.
Structure, 23, 2015
5COE
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BU of 5coe by Molmil
The structure of the NK1 fragment of HGF/SF complexed with HEPES
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hepatocyte growth factor
著者Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Ascher, D.B, Chirgadze, D.Y, Blundell, T.L, Gherardi, E.
登録日2015-07-20
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
5BYY
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BU of 5byy by Molmil
ERK5 IN COMPLEX WITH SMALL MOLECULE
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, Mitogen-activated protein kinase 7
著者Chen, H, Tucker, J, Wang, X, Gavine, P.R, Philips, C, Augustin, M.A, Schreiner, P, Steinbacher, S, Preston, M, Ogg, D.
登録日2015-06-11
公開日2016-05-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site.
Acta Crystallogr D Struct Biol, 72, 2016
8IRY
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BU of 8iry by Molmil
Carbon Sulfoxide lyase
分子名称: PYRIDOXAL-5'-PHOSPHATE, PYRUVIC ACID, Probable hercynylcysteine sulfoxide lyase
著者Gong, W.M, Wei, L.L, Liu, L.
登録日2023-03-20
公開日2024-03-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of mycobacterial ergothioneine-biosynthesis C-S lyase EgtE.
J.Biol.Chem., 300, 2024
6MUD
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BU of 6mud by Molmil
Voltage-gated sodium channel NaV1.5 C-terminal domain in complex with Ca2+/Calmodulin
分子名称: CALCIUM ION, Calmodulin-1, Sodium channel protein type 5 subunit alpha
著者Gardill, B.R, Tung, C.C, Van Petegem, F.
登録日2018-10-23
公開日2019-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Crystal structures of Ca2+-calmodulin bound to NaVC-terminal regions suggest role for EF-hand domain in binding and inactivation.
Proc.Natl.Acad.Sci.USA, 116, 2019
7PTI
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BU of 7pti by Molmil
STRUCTURAL EFFECTS INDUCED BY REMOVAL OF A DISULFIDE BRIDGE. THE X-RAY STRUCTURE OF THE C30A(SLASH)C51A MUTANT OF BASIC PANCREATIC TRYPSIN INHIBITOR AT 1.6 ANGSTROMS
分子名称: BOVINE PANCREATIC TRYPSIN INHIBITOR, PHOSPHATE ION
著者Eigenbrot, C, Randal, M, Kossiakoff, A.A.
登録日1990-03-08
公開日1991-04-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural effects induced by removal of a disulfide-bridge: the X-ray structure of the C30A/C51A mutant of basic pancreatic trypsin inhibitor at 1.6 A.
Protein Eng., 3, 1990
5CEY
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BU of 5cey by Molmil
Crystal Structure of Fab 9H+3L, a putative precursor of the PGT121 family of potent HIV-1 antibodies
分子名称: 1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL, Antibody 9H+3L Fab heavy chain, Antibody 9H+3L Fab light chain, ...
著者Wilson, I.A, Garces, F.
登録日2015-07-07
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.387 Å)
主引用文献Affinity Maturation of a Potent Family of HIV Antibodies Is Primarily Focused on Accommodating or Avoiding Glycans.
Immunity, 43, 2015
5CFC
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BU of 5cfc by Molmil
Crystal Structure of Human Cardiovirus SAFV-3
分子名称: VP1, VP2, VP3, ...
著者Mullapudi, E, Plevka, P.
登録日2015-07-08
公開日2016-06-15
最終更新日2018-04-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and Genome Release Mechanism of the Human Cardiovirus Saffold Virus 3.
J.Virol., 90, 2016
6MUG
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BU of 6mug by Molmil
Crystal Structure of HIV-1 B41 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.8 Angstrom
分子名称: 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1H-indol-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lai, Y.-T, Kwong, P.D.
登録日2018-10-23
公開日2019-01-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.954 Å)
主引用文献Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
8IYU
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BU of 8iyu by Molmil
CfbA S11T variant with Ni(II) ions
分子名称: NICKEL (II) ION, Sirohydrochlorin cobaltochelatase
著者Ogawa, S, Fujishiro, T.
登録日2023-04-06
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Substrate selectivity of CfbA
To be published
8J59
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The structure of a novel thermophilic-like old yellow enzyme from Aspergillus flavus-AfOYE1
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Li, N, Wang, Y.
登録日2023-04-21
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The structure of a novel thermophilic-like old yellow enzyme from Aspergillus flavus-AfOYE1
To Be Published
6N0M
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BU of 6n0m by Molmil
CRYSTAL STRUCTURE OF SESTRIN2 IN COMPLEX WITH NV-0005138
分子名称: 4-(difluoromethyl)-L-leucine, Sestrin-2
著者O'Neill, D.
登録日2018-11-07
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Discovery of NV-5138, the first selective Brain mTORC1 activator.
Sci Rep, 9, 2019

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件を2024-08-28に公開中

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