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PDB: 906 件
8S98
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Crystal structure of the TYK2 pseudokinase domain in complex with compound 8
分子名称: (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E.
登録日2023-03-27
公開日2023-07-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
8S9A
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Crystal structure of the TYK2 pseudokinase domain in complex with TAK-279
分子名称: (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E.
登録日2023-03-27
公開日2023-07-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
8S99
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Crystal structure of the TYK2 pseudokinase domain in complex with compound 11
分子名称: (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E.
登録日2023-03-27
公開日2023-07-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
8SMU
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Integral fusion of the HtaA CR2 domain from Corynebacterium diphtheriae within EGFP
分子名称: CHLORIDE ION, GLYCEROL, HtaACR2 integral fusion within enhanced green fluorescent protein, ...
著者Mahoney, B.J, Cascio, D, Clubb, R.T.
登録日2023-04-26
公開日2023-09-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Development and atomic structure of a new fluorescence-based sensor to probe heme transfer in bacterial pathogens.
J.Inorg.Biochem., 249, 2023
8SQX
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Solution structure of the basal pilin SpaB from Corynebacterium diphtheriae
分子名称: Putative surface anchored protein
著者Sue, C.K, Mahoney, B.J, Cheung, N.A, Clubb, R.T.
登録日2023-05-04
公開日2023-06-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The basal and major pilins in the Corynebacterium diphtheriae SpaA pilus adopt similar structures that competitively react with the pilin polymerase.
Biopolymers, 115, 2024
4LVX
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Structure of the THF riboswitch bound to tetrahydrobiopterin
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, THF riboswitch
著者Trausch, J.J, Batey, R.T.
登録日2013-07-26
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
4RSD
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STRUCTURE OF THE D121A VARIANT OF RIBONUCLEASE A
分子名称: ACETATE ION, CHLORIDE ION, RIBONUCLEASE A
著者Schultz, L.W, Quirk, D.J, Raines, R.T.
登録日1998-02-05
公開日1998-07-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献His...Asp catalytic dyad of ribonuclease A: structure and function of the wild-type, D121N, and D121A enzymes.
Biochemistry, 37, 1998
4RSK
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STRUCTURE OF THE K7A/R10A/K66A VARIANT OF RIBONUCLEASE A COMPLEXED WITH 3'-UMP
分子名称: 3'-URIDINEMONOPHOSPHATE, RIBONUCLEASE A
著者Schultz, L.W, Fisher, B.M, Raines, R.T.
登録日1998-04-09
公開日1998-12-09
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Coulombic Effects of Remote Subsites on the Active Site of Ribonuclease A
Biochemistry, 37, 1998
4LVZ
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Structure of the THF riboswitch bound to 2,6-diaminopurine
分子名称: 9H-PURINE-2,6-DIAMINE, THF riboswitch
著者Trausch, J.J, Batey, R.T.
登録日2013-07-26
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
4RQZ
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re-refinement of 1soz, Crystal Structure of DegS protease in complex with an activating peptide
分子名称: Protease degS, activating peptide
著者Sauer, R.T, Grant, R.A.
登録日2014-11-05
公開日2015-03-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Conserved Activation Cluster Is Required for Allosteric Communication in HtrA-Family Proteases.
Structure, 23, 2015
4RR0
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BU of 4rr0 by Molmil
re-refined 1vcw, CRYSTAL STRUCTURE OF DEGS AFTER BACKSOAKING THE ACTIVATING PEPTIDE
分子名称: Protease degS
著者Sauer, R.T, Grant, R.A.
登録日2014-11-05
公開日2015-03-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.054 Å)
主引用文献A Conserved Activation Cluster Is Required for Allosteric Communication in HtrA-Family Proteases.
Structure, 23, 2015
4LVY
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Structure of the THF riboswitch bound to pemetrexed
分子名称: 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, THF riboswitch
著者Trausch, J.J, Batey, R.T.
登録日2013-07-26
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
4TSR
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BU of 4tsr by Molmil
The Complex Structure of Mutant Phytase with IHS
分子名称: D-MYO-INOSITOL-HEXASULPHATE, NICKEL (II) ION, Periplasmic AppA protein
著者Wu, T.H, Chen, C.C, Huang, C.H, Guo, R.T.
登録日2014-06-19
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The Complex Structure of mutant Phytase with IHS
To Be Published
4LVV
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BU of 4lvv by Molmil
Structure of the THF riboswitch
分子名称: N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, THF riboswitch
著者Trausch, J.J, Batey, R.T.
登録日2013-07-26
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
4LW0
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Structure of the THF riboswitch bound to adenine
分子名称: ADENINE, THF riboswitch
著者Trausch, J.J, Batey, R.T.
登録日2013-07-26
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.889 Å)
主引用文献A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
4RQY
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RE-REFINED STRUCTURE OF 1TE0 - STRUCTURAL ANALYSIS of DEGS, A STRESS SENSOR OF THE BACTERIAL PERIPLASM
分子名称: PHOSPHATE ION, Protease degS
著者Sauer, R.T, Grant, R.A.
登録日2014-11-05
公開日2015-03-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.204 Å)
主引用文献A Conserved Activation Cluster Is Required for Allosteric Communication in HtrA-Family Proteases.
Structure, 23, 2015
4RR1
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re-refinement of entry 1sot, Crystal Structure of the DegS stress sensor
分子名称: NICKEL (II) ION, PHOSPHATE ION, Protease degS
著者Sauer, R.T, Grant, R.A.
登録日2014-11-05
公開日2015-03-11
最終更新日2015-03-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Conserved Activation Cluster Is Required for Allosteric Communication in HtrA-Family Proteases.
Structure, 23, 2015
4U0G
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Crystal Structure of M. tuberculosis ClpP1P2 bound to ADEP and agonist
分子名称: ADEP-2B5Me, ATP-dependent Clp protease proteolytic subunit 1, ATP-dependent Clp protease proteolytic subunit 2, ...
著者Schmitz, K.R, Carney, D.W, Sello, J.K, Sauer, R.T.
登録日2014-07-11
公開日2014-10-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.1978 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis ClpP1P2 suggests a model for peptidase activation by AAA+ partner binding and substrate delivery.
Proc.Natl.Acad.Sci.USA, 111, 2014
7CWQ
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Crystal structure of a novel cutinase from Burkhoderiales bacterium RIFCSPLOWO2_02_FULL_57_36
分子名称: DLH domain-containing protein, SULFATE ION
著者Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2020-08-30
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis.
Nat Catal, 4, 2021
4U0H
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Crystal Structure of M. tuberculosis ClpP1P1
分子名称: ATP-dependent Clp protease proteolytic subunit 1, SULFATE ION
著者Schmitz, K.R, Carney, D.W, Sello, J.K, Sauer, R.T.
登録日2014-07-11
公開日2014-10-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2479 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis ClpP1P2 suggests a model for peptidase activation by AAA+ partner binding and substrate delivery.
Proc.Natl.Acad.Sci.USA, 111, 2014
7CQB
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Crystal structure of mutant of a Petase mutant
分子名称: Poly(ethylene terephthalate) hydrolase
著者Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2020-08-09
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structure of mutant of a Petase mutant
to be published
4U5K
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Complex structure of mutant CtCel5E (E314A) with cellobiose
分子名称: Endoglucanase H, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Guo, R.T, Huang, C.H, Wu, T.H.
登録日2014-07-25
公開日2015-01-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Biochemical Characterization and Structural Analysis of a Bifunctional Cellulase/Xylanase from Clostridium thermocellum
J.Biol.Chem., 290, 2015
4U5I
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Complex structure of mutant CtCel5E (E314A) with xylobiose
分子名称: Endoglucanase H, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Guo, R.T, Huang, C.H, Wu, T.H.
登録日2014-07-25
公開日2015-01-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Biochemical Characterization and Structural Analysis of a Bifunctional Cellulase/Xylanase from Clostridium thermocellum
J.Biol.Chem., 290, 2015
7CY0
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Crystal structure of S185H mutant PET hydrolase from Ideonella sakaiensis
分子名称: ACETIC ACID, Poly(ethylene terephthalate) hydrolase
著者Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2020-09-03
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis.
Nat Catal, 4, 2021
3L0E
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X-ray crystal structure of a Potent Liver X Receptor Modulator
分子名称: N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide, Nuclear receptor coactivator 2, Oxysterols receptor LXR-beta
著者Gampe Jr, R.T.
登録日2009-12-09
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of tertiary sulfonamides as potent liver X receptor antagonists.
J.Med.Chem., 53, 2010

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