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4YRA
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BU of 4yra by Molmil
mouse TDH in the apo form
分子名称: L-threonine 3-dehydrogenase, mitochondrial
著者He, C, Li, F.
登録日2015-03-14
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural insights on mouse l-threonine dehydrogenase: A regulatory role of Arg180 in catalysis
J.Struct.Biol., 192, 2015
1RYV
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BU of 1ryv by Molmil
Three dimensional solution structure of the K27A MUTANT of sodium channels inhibitor HAINANTOXIN-IV BY 2D 1H-NMR
分子名称: Hainantoxin-IV
著者Li, D, Lu, S, Gu, X, Liang, S.
登録日2003-12-22
公開日2004-01-13
最終更新日2021-11-10
実験手法SOLUTION NMR
主引用文献Structure--activity relationships of hainantoxin-IV and structure determination of active and inactive sodium channel blockers
J.Biol.Chem., 279, 2004
5MQP
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BU of 5mqp by Molmil
Glycoside hydrolase BT_1002
分子名称: CALCIUM ION, Glycoside hydrolase BT_1002
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2016-12-20
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The most complex carbohydrate known is degraded in the human gut by single organisms and not bacterial consortia
To Be Published
5MT2
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BU of 5mt2 by Molmil
Glycoside hydrolase BT_0996
分子名称: Beta-galactosidase, GLYCEROL
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2017-01-06
公開日2017-03-22
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
5MUJ
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BU of 5muj by Molmil
BT0996 RGII Chain B Complex
分子名称: ACETATE ION, Beta-galactosidase, alpha-L-rhamnopyranose-(1-2)-[alpha-L-rhamnopyranose-(1-3)]alpha-L-arabinopyranose-(1-4)-[4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose-(1-2)]beta-D-galactopyranose-(1-2)-alpha-D-aceric acid-(1-4)-alpha-L-rhamnopyranose-(1-3)-3-C-(hydroxylmethyl)-alpha-D-erythrofuranose
著者Cartmell, A, Basle, A, Ndeh, D, Luis, A.S, Venditto, I, Labourel, A, Rogowski, A, Gilbert, H.J.
登録日2017-01-13
公開日2017-04-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
5MSX
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BU of 5msx by Molmil
Glycoside hydrolase BT_3662
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2017-01-06
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
5MUI
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BU of 5mui by Molmil
Glycoside hydrolase BT_0996
分子名称: Beta-galactosidase, beta-L-arabinofuranose-(1-2)-alpha-L-rhamnopyranose-(1-2)-[alpha-L-rhamnopyranose-(1-3)]alpha-L-arabinopyranose-(1-4)-[4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose-(1-2)]beta-D-galactopyranose-(1-2)-alpha-D-aceric acid-(1-3)-alpha-L-rhamnopyranose
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2017-01-13
公開日2017-03-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
5MWK
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BU of 5mwk by Molmil
Glycoside hydrolase BT_0986
分子名称: BROMIDE ION, CALCIUM ION, Glycoside hydrolase family 2, ...
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2017-01-18
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
5MQM
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BU of 5mqm by Molmil
Glycoside hydrolase BT_0986
分子名称: CALCIUM ION, D-rhamnopyranose tetrazole, Glycosyl hydrolases family 2, ...
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2016-12-20
公開日2017-03-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
5MQN
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BU of 5mqn by Molmil
Glycoside hydrolase BT_0986
分子名称: CALCIUM ION, Glycosyl hydrolases family 2, sugar binding domain
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2016-12-20
公開日2017-03-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
7RP3
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BU of 7rp3 by Molmil
Crystal structure of GNE-1952 alkylated KRAS G12C in complex with 2H11 CLAMP
分子名称: 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, ...
著者Oh, A, Tam, C, Wang, W.
登録日2021-08-03
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
7RP2
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BU of 7rp2 by Molmil
Crystal structure of Kas G12C in complex with 2H11 CLAMP
分子名称: 1,2-ETHANEDIOL, CACODYLATE ION, GTPase KRas, ...
著者Oh, A, Tam, C, Wang, W.
登録日2021-08-03
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
7RP4
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BU of 7rp4 by Molmil
Crystal structure of KRAS G12C in complex with GNE-1952
分子名称: 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Oh, A, Tam, C, Wang, W.
登録日2021-08-03
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
4GVJ
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BU of 4gvj by Molmil
Tyk2 (JH1) in complex with adenosine di-phosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Non-receptor tyrosine-protein kinase TYK2
著者Liang, J, Abbema, A.V, Bao, L, Barrett, K, Beresini, M, Berezhkovskiy, L, Blair, W, Chang, C, Driscoll, J, Eigenbrot, C, Ghilardi, N, Gibbons, P, Halladay, J, Johnson, A, Kohli, P.B, Lai, Y, Liimatta, M, Mantik, P, Menghrajani, K, Murray, J, Sambrone, A, Shao, Y, Shia, S, Shin, Y, Smith, J, Sohn, S, Stanley, M, Tsui, V, Ultsch, M, Wu, L, Zhang, B, Magnuson, S.
登録日2012-08-30
公開日2013-08-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4GJ3
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BU of 4gj3 by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
分子名称: 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2
著者Ultsch, M.H.
登録日2012-08-09
公開日2013-05-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
4GJ2
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BU of 4gj2 by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
分子名称: 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2
著者Ultsch, M.H.
登録日2012-08-09
公開日2013-05-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
4GII
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BU of 4gii by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
分子名称: 2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Non-receptor tyrosine-protein kinase TYK2
著者Ultsch, M.H.
登録日2012-08-08
公開日2013-05-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
5HV1
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BU of 5hv1 by Molmil
Rifampin phosphotransferase in complex with AMPPNP and rifampin from Listeria monocytogenes
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphoenolpyruvate synthase, ...
著者Zhang, P, Qi, X.
登録日2016-01-28
公開日2016-03-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.103 Å)
主引用文献Structural basis of rifampin inactivation by rifampin phosphotransferase
Proc.Natl.Acad.Sci.USA, 113, 2016
5HV6
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BU of 5hv6 by Molmil
The ATP binding domain of rifampin phosphotransferase from Listeria monocytogenes
分子名称: Phosphoenolpyruvate synthase
著者Zhang, P, Qi, X.
登録日2016-01-28
公開日2016-03-30
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (3.005 Å)
主引用文献Structural basis of rifampin inactivation by rifampin phosphotransferase
Proc.Natl.Acad.Sci.USA, 113, 2016
5HV3
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Rifampin phosphotransferase G527Y mutant in complex with AMPPNP from Listeria monocytogenes
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphoenolpyruvate synthase
著者Zhang, P, Qi, X.
登録日2016-01-28
公開日2016-03-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.118 Å)
主引用文献Structural basis of rifampin inactivation by rifampin phosphotransferase
Proc.Natl.Acad.Sci.USA, 113, 2016
4I1L
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BU of 4i1l by Molmil
Structural and Biological Features of FOXP3 Dimerization Relevant to Regulatory T Cell Function
分子名称: ACETATE ION, Forkhead box protein P3, MAGNESIUM ION, ...
著者Song, X.M, Greene, M.I, Zhou, Z.C.
登録日2012-11-21
公開日2012-12-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and biological features of FOXP3 dimerization relevant to regulatory T cell function.
Cell Rep, 1, 2012
5HV2
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BU of 5hv2 by Molmil
Rifampin phosphotransferase G527Y mutant from Listeria monocytogenes
分子名称: Phosphoenolpyruvate synthase
著者Zhang, P, Qi, X.
登録日2016-01-28
公開日2016-03-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.912 Å)
主引用文献Structural basis of rifampin inactivation by rifampin phosphotransferase
Proc.Natl.Acad.Sci.USA, 113, 2016
2WVX
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BU of 2wvx by Molmil
Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482
分子名称: CALCIUM ION, GLYCEROL, PUTATIVE ALPHA-1,2-MANNOSIDASE
著者Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J.
登録日2009-10-21
公開日2009-11-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
2WW3
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BU of 2ww3 by Molmil
Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 in complex with thiomannobioside
分子名称: CALCIUM ION, GLYCEROL, PUTATIVE ALPHA-1,2-MANNOSIDASE, ...
著者Suits, M.D.L, Zhu, Y, Thompson, A.J, Gilbert, H.J, Davies, G.J.
登録日2009-10-21
公開日2010-01-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanistic Insights Into a Ca(2+)-Dependent Family of Alpha-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
2WW0
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BU of 2ww0 by Molmil
Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482
分子名称: 1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL, CALCIUM ION, GLYCEROL, ...
著者Suits, M.D.L, Thompson, A, Zhu, Y, Gilbert, H.J, Davies, G.J.
登録日2009-10-21
公開日2009-12-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010

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