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8DQ9
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Crystal structure of GDP bound 3-dehydroquinate dehydratase I from Klebsiella oxytoca
分子名称: 3-dehydroquinate dehydratase I, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-07-18
公開日2022-07-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of GDP bound 3-dehydroquinate dehydratase I from Klebsiella oxytoca
To be published
8F87
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Crystal structure of Ebola Zaire envelope glycoprotein GP in complex with compound ARN75092
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, GP1, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-11-21
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of Ebola Zaire envelope glycoprotein GP in complex with compound ARN75092
To be Published
8F82
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Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM845
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-{2-[3-({(6M)-2,4-diamino-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid, BROMIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-11-21
公開日2023-12-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM845
To be published
8F81
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Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM777
分子名称: 3-(2-{3-[(2,4-diamino-6-pentylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-11-21
公開日2023-12-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM777
To be published
8F80
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Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM738
分子名称: 1,2-ETHANEDIOL, 3-[2-(3-{[2,4-diamino-6-(4-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid, Dihydrofolate reductase, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-11-21
公開日2023-12-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM738
To be published
5FD2
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BU of 5fd2 by Molmil
B-Raf wild-type kinase domain in complex with a purinylpyridinylamino-based inhibitor
分子名称: 6-[2-[[3-(dimethylsulfamoylamino)-2,6-bis(fluoranyl)phenyl]amino]pyridin-3-yl]-7~{H}-purine, Serine/threonine-protein kinase B-raf
著者Whittington, D.A, Epstein, L.F.
登録日2015-12-15
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Purinylpyridinylamino-based DFG-in/ alpha C-helix-out B-Raf inhibitors: Applying mutant versus wild-type B-Raf selectivity indices for compound profiling.
Bioorg.Med.Chem., 24, 2016
7TNI
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BU of 7tni by Molmil
Structure of EC12 Y1392W variant of BT-R1 from Manduca sexta, a Cry1A toxin binding domain
分子名称: Cadherin, MAGNESIUM ION
著者Fisher, A.J, Wilcox, X.E.
登録日2022-01-21
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Functional and Structural Analysis of the Toxin-Binding Site of the Cadherin G-Protein-Coupled Receptor, BT-R 1 , for Cry1A Toxins of Bacillus thuringiensis .
Biochemistry, 61, 2022
1JMF
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BU of 1jmf by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Finer-Moore, J, Stroud, R.M.
登録日1997-09-13
公開日1998-01-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
1JMH
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BU of 1jmh by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Finer-Moore, J, Stroud, R.M.
登録日1997-09-13
公開日1998-01-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
1JMI
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BU of 1jmi by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Finer-Moore, J, Stroud, R.M.
登録日1997-09-13
公開日1998-01-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
3EIR
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BU of 3eir by Molmil
Crystal structure of CHBP, a Cif Homologue from Burkholderia pseudomallei
分子名称: Putative ATP/GTP binding protein
著者Yao, Q, Zhu, Y, Shao, F.
登録日2008-09-17
公開日2009-02-03
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献A bacterial type III effector family uses the papain-like hydrolytic activity to arrest the host cell cycle
Proc.Natl.Acad.Sci.USA, 106, 2009
3EIT
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BU of 3eit by Molmil
the 2.6 angstrom crystal structure of CHBP, the Cif Homologue from Burkholderia pseudomallei
分子名称: Putative ATP/GTP binding protein
著者Yao, Q, Zhu, Y, Shao, F.
登録日2008-09-17
公開日2009-02-03
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献A bacterial type III effector family uses the papain-like hydrolytic activity to arrest the host cell cycle
Proc.Natl.Acad.Sci.USA, 106, 2009
7X35
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BU of 7x35 by Molmil
Cryo-EM structure of Coxsackievirus B1 A-particle in complex with nAb 8A10 (CVB1-A:8A10)
分子名称: 8A10 heavy chain, 8A10 light chain, VP2, ...
著者Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
登録日2022-02-28
公開日2024-07-24
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
5VCM
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BU of 5vcm by Molmil
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase with bound UDP and Manganese
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase, ...
著者Sanders, J.H, Kadirvelraj, R, Wood, Z.A.
登録日2017-03-31
公開日2018-04-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献HumanN-acetylglucosaminyltransferase II substrate recognition uses a modular architecture that includes a convergent exosite.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6J6M
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BU of 6j6m by Molmil
Co-crystal structure of BTK kinase domain with Zanubrutinib
分子名称: (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK
著者Zhou, X, Hong, Y.
登録日2019-01-15
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
6W9U
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BU of 6w9u by Molmil
Structure of human MAIT A-F7 TCR in complex with patient MR1-R9H-Ac-6-FP
分子名称: 1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone, Beta-2-microglobulin, CHLORIDE ION, ...
著者Awad, W, Rossjohn, J.
登録日2020-03-23
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Absence of mucosal-associated invariant T cells in a person with a homozygous point mutation in MR1 .
Sci Immunol, 5, 2020
6VXO
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BU of 6vxo by Molmil
NaChBac-Nav1.7VSDII chimera in nanodisc
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, NaChBac-Nav1.7VSDII chimera
著者Yan, N, Gao, S.
登録日2020-02-22
公開日2020-06-24
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Employing NaChBac for cryo-EM analysis of toxin action on voltage-gated Na+channels in nanodisc.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VWX
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BU of 6vwx by Molmil
NaChBac in lipid nanodisc
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, BH1501 protein, SODIUM ION
著者Yan, N, Gao, S.
登録日2020-02-20
公開日2020-06-24
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Employing NaChBac for cryo-EM analysis of toxin action on voltage-gated Na+channels in nanodisc.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W6O
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BU of 6w6o by Molmil
NaChBac-Nav1.7VSDII chimera and HWTX-IV complex
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Huwentoxin-IV, NaChBac-Nav1.7VSDII chimera
著者Yan, N, Gao, S.
登録日2020-03-17
公開日2020-06-24
最終更新日2021-01-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Employing NaChBac for cryo-EM analysis of toxin action on voltage-gated Na + channels in nanodisc.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W9V
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BU of 6w9v by Molmil
Structure of human MAIT A-F7 TCR in complex with patient MR1-R9H without ligand
分子名称: ACETATE ION, Beta-2-microglobulin, GLYCEROL, ...
著者Awad, W, Rossjohn, J.
登録日2020-03-23
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Absence of mucosal-associated invariant T cells in a person with a homozygous point mutation in MR1 .
Sci Immunol, 5, 2020
5D7K
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Structure of MR1-reactive MAV36 TCR
分子名称: MAV36 TCR Alpha Chain, MAV36 TCR Beta Chain, SULFATE ION
著者Keller, A.N, Rossjohn, J.
登録日2015-08-14
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition.
Immunity, 44, 2016
5D7I
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BU of 5d7i by Molmil
Structure of human MR1-Ac-6-FP in complex with human MAIT M33.64 TCR
分子名称: Beta-2-microglobulin, GLYCEROL, M33.64 TCR Alpha Chain, ...
著者Keller, A.N, Woolley, R.E, Rossjohn, J.
登録日2015-08-14
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition.
Immunity, 44, 2016
5D5M
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BU of 5d5m by Molmil
Structure of human MR1-5-OP-RU in complex with human MAIT M33.64 TCR
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, ACETATE ION, Beta-2-microglobulin, ...
著者Keller, A.N, Birkinshaw, R.W, Rossjohn, J.
登録日2015-08-11
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition.
Immunity, 44, 2016
6PGP
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BU of 6pgp by Molmil
Crystal structure of human KRAS G12C covalently bound to a quinazolinone inhibitor
分子名称: 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one, CALCIUM ION, GTPase KRas, ...
著者Mohr, C, Whittington, D.A.
登録日2019-06-24
公開日2019-12-25
最終更新日2020-01-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of a Covalent Inhibitor of KRASG12C(AMG 510) for the Treatment of Solid Tumors.
J.Med.Chem., 63, 2020
6PUF
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Structure of human MAIT A-F7 TCR in complex with human MR1-5'D-5-OP-RU
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Awad, W, Rossjohn, J.
登録日2019-07-18
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020

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