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4PJA
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BU of 4pja by Molmil
Structure of human MR1-5-OP-RU in complex with human MAIT B-B10 TCR
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-05-12
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
7KRZ
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BU of 7krz by Molmil
Human mitochondrial LONP1 in complex with Bortezomib
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Endogenous co-purified substrate, ...
著者Shin, M, Watson, E.R, Song, A.S, Mindrebo, J.T, Novick, S.R, Griffin, P, Wiseman, R.L, Lander, G.C.
登録日2020-11-20
公開日2021-02-24
最終更新日2022-06-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of the human LONP1 protease reveal regulatory steps involved in protease activation.
Nat Commun, 12, 2021
5ORX
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BU of 5orx by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 6-[2,6-bis(chloranyl)phenoxy]pyridin-3-amine, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5B0O
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BU of 5b0o by Molmil
Structure of the FliH-FliI complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Flagellar assembly protein FliH, Flagellum-specific ATP synthase
著者Imada, K, Uchida, Y, Kinoshita, M, Namba, K, Minamino, T.
登録日2015-11-02
公開日2016-03-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Insight into the flagella type III export revealed by the complex structure of the type III ATPase and its regulator
Proc.Natl.Acad.Sci.USA, 113, 2016
5OS6
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BU of 5os6 by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: (6-phenoxypyridin-3-yl)methanol, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5OSD
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BU of 5osd by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 5-(4-chlorophenyl)furan-2-carbohydrazide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-17
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5BPP
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BU of 5bpp by Molmil
Structure of human Leukotriene A4 hydrolase in complex with inhibitor 4AZ
分子名称: 2-(4-butoxyphenyl)-N-hydroxyacetamide, ACETATE ION, Leukotriene A-4 hydrolase, ...
著者Huang, J, Dong, N.N, Xiao, Q, Ou, P.Y, Wu, D, Lu, W.Q.
登録日2015-05-28
公開日2016-08-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Bufexamac ameliorates LPS-induced acute lung injury in mice by targeting LTA4H
Sci Rep, 6, 2016
5BO9
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BU of 5bo9 by Molmil
Structure of human sialyltransferase ST8SiaIII in complex with CMP-3FNeu5Ac and Sia-6S-LacNAc
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Volkers, G, Worrall, L, Strynadka, N.C.J.
登録日2015-05-27
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of human ST8SiaIII sialyltransferase provides insight into cell-surface polysialylation.
Nat.Struct.Mol.Biol., 22, 2015
5BPZ
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BU of 5bpz by Molmil
Atomic-resolution structures of the APC/C subunits Apc4 and the Apc5 N-terminal domain
分子名称: 1,2-ETHANEDIOL, Anapc5 protein
著者Cronin, N, Yang, J, Zhang, Z, Barford, D.
登録日2015-05-28
公開日2015-09-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Atomic-Resolution Structures of the APC/C Subunits Apc4 and the Apc5 N-Terminal Domain.
J.Mol.Biol., 427, 2015
4PJ8
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BU of 4pj8 by Molmil
Structure of human MR1-5-OP-RU in complex with human MAIT TRBV20 TCR
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-05-12
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
4PJF
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BU of 4pjf by Molmil
Structure of human MR1-Ac-6-FP in complex with human MAIT B-C10 TCR
分子名称: Beta-2-microglobulin, GLYCEROL, Major histocompatibility complex class I-related gene protein, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-05-12
公開日2014-07-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
4PR5
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BU of 4pr5 by Molmil
Crystal structure of a HLA-B*35:01-HPVG-D5
分子名称: Beta-2-microglobulin, Epstein-Barr nuclear antigen 1, HLA class I histocompatibility antigen, ...
著者Yu Chih, L, Rossjohn, J, Gras, S.
登録日2014-03-05
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Molecular Basis for the Interplay between T Cells, Viral Mutants, and Human Leukocyte Antigen Micropolymorphism.
J.Biol.Chem., 289, 2014
4PRI
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BU of 4pri by Molmil
Crystal structure of TK3 TCR-HLA-B*35:08-HPVG complex
分子名称: Beta-2-microglobulin, CHLORIDE ION, Epstein-Barr nuclear antigen 1, ...
著者Yu Chih, L, Rossjohn, J, Gras, S.
登録日2014-03-05
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Molecular Basis for the Interplay between T Cells, Viral Mutants, and Human Leukocyte Antigen Micropolymorphism.
J.Biol.Chem., 289, 2014
1F2B
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BU of 1f2b by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO VINYL SULFONE DERIVED INHIBITOR (III)
分子名称: 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID 4-NITRO-PHENYL ESTER, CRUZAIN
著者Brinen, L.S, Hansell, E, Roush, W.R, McKerrow, J.H, Fletterick, R.J.
登録日2000-05-23
公開日2000-07-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A target within the target: probing cruzain's P1' site to define structural determinants for the Chagas' disease protease.
Structure Fold.Des., 8, 2000
1F2A
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BU of 1f2a by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (II)
分子名称: 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONYLMETHYLBENZENE, CRUZAIN
著者Brinen, L.S, Hansell, E, Roush, W.R, McKerrow, J.H, Fletterick, R.J.
登録日2000-05-23
公開日2000-07-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A target within the target: probing cruzain's P1' site to define structural determinants for the Chagas' disease protease.
Structure Fold.Des., 8, 2000
1F2W
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BU of 1f2w by Molmil
THE MECHANISM OF CYANAMIDE HYDRATION CATALYZED BY CARBONIC ANHYDRASE II REVEALED BY CRYOGENIC X-RAY DIFFRACTION
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, CARBONIC ANHYDRASE II, CYANAMIDE, ...
著者Guerri, A, Briganti, F, Scozzafava, A, Supuran, C.T, Mangani, S.
登録日2000-05-30
公開日2000-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanism of cyanamide hydration catalyzed by carbonic anhydrase II suggested by cryogenic X-ray diffraction.
Biochemistry, 39, 2000
1F2C
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BU of 1f2c by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CRYZAIN BOUND TO VINYL SULFONE DERIVED INHIBITOR (IV)
分子名称: 3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID BENZYLOXY-AMIDE, CRUZAIN
著者Brinen, L.S, Hansell, E, Roush, W.R, McKerrow, J.H, Fletterick, R.J.
登録日2000-05-23
公開日2000-07-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A target within the target: probing cruzain's P1' site to define structural determinants for the Chagas' disease protease.
Structure Fold.Des., 8, 2000
7L6W
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BU of 7l6w by Molmil
SFX structure of the MyD88 TIR domain higher-order assembly
分子名称: Myeloid differentiation primary response protein MyD88
著者Clabbers, M.T.B, Holmes, S, Muusse, T.W, Vajjhala, P, Thygesen, S.J, Malde, A.K, Hunter, D.J.B, Croll, T.I, Flueckiger, L, Nanson, J.D, Rahaman, M.H, Aquila, A, Hunter, M.S, Liang, M, Yoon, C.H, Zhao, J, Zatsepin, N.A, Abbey, B, Sierecki, E, Gambin, Y, Stacey, K.J, Darmanin, C, Kobe, B, Xu, H, Ve, T.
登録日2020-12-24
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography.
Nat Commun, 12, 2021
5B1X
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BU of 5b1x by Molmil
Crystal structure of human dendritic cell inhibitory receptor (DCIR) C-type lectin domain in complex with biantennary glycan
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, C-type lectin domain family 4 member A, CALCIUM ION
著者Nagae, M, Yamaguchi, Y.
登録日2015-12-21
公開日2016-05-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Crystal structure of human dendritic cell inhibitory receptor C-type lectin domain reveals the binding mode with N-glycan
Febs Lett., 590, 2016
5TY8
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BU of 5ty8 by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
分子名称: (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION
著者Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K.
登録日2016-11-18
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
3EQ6
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BU of 3eq6 by Molmil
Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in a ternary complex with products
分子名称: ADENOSINE MONOPHOSPHATE, Acyl-coenzyme A synthetase ACSM2A, Butyryl Coenzyme A
著者Pilka, E.S, Kochan, G, Yue, W.W, Bhatia, C, Von delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2008-09-30
公開日2008-10-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A
J.Mol.Biol., 388, 2009
4PJ7
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BU of 4pj7 by Molmil
Structure of human MR1-5-OP-RU in complex with human MAIT TRBV6-4 TCR
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-05-12
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
5UBD
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Crystal structure of the N-terminal domain (domain 1) of RctB, RctB-1-124-L48M
分子名称: RctB replication initiator protein
著者Orlova, N, Ivashkiv, O, Waldor, M.K, Jeruzalmi, D.
登録日2016-12-20
公開日2017-01-11
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献The replication initiator of the cholera pathogen's second chromosome shows structural similarity to plasmid initiators.
Nucleic Acids Res., 45, 2017
1A66
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BU of 1a66 by Molmil
SOLUTION NMR STRUCTURE OF THE CORE NFATC1/DNA COMPLEX, 18 STRUCTURES
分子名称: CORE NFATC1, DNA (5'-D(*CP*AP*AP*TP*TP*TP*TP*CP*CP*TP*CP*G)-3'), DNA (5'-D(*CP*GP*AP*GP*GP*AP*AP*AP*AP*TP*TP*G)-3')
著者Zhou, P, Sun, L.J, Doetsch, V, Wagner, G, Verdine, G.L.
登録日1998-03-06
公開日1998-06-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the core NFATC1/DNA complex.
Cell(Cambridge,Mass.), 92, 1998
4PRA
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BU of 4pra by Molmil
Crystal structure of a HLA-B*35:01-HPVG-Q5
分子名称: Beta-2-microglobulin, Epstein-Barr nuclear antigen 1, MHC class I antigen
著者Yu Chih, L, Rossjohn, J, Gras, S.
登録日2014-03-05
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Molecular Basis for the Interplay between T Cells, Viral Mutants, and Human Leukocyte Antigen Micropolymorphism.
J.Biol.Chem., 289, 2014

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