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7AC0
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BU of 7ac0 by Molmil
Epoxide hydrolase CorEH without ligand
分子名称: Soluble epoxide hydrolase
著者Palm, G.J, Lammers, M, Berndt, L.
登録日2020-09-09
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.177 Å)
主引用文献Promiscuous Dehalogenase Activity of the Epoxide Hydrolase CorEH from Corynebacterium sp. C12
Acs Catalysis, 11, 2021
5MHP
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Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
分子名称: 2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Fleury, D, Mueller, I, Lamers, M, Triballeau, N, Mollat, P, Vercheval, L.
登録日2016-11-25
公開日2017-08-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovery of 2-[[2-Ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)thiazole-5-carbonitrile (GLPG1690), a First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation for the Treatment of Idiopathic Pulmonary Fibrosis.
J. Med. Chem., 60, 2017
4CBY
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BU of 4cby by Molmil
Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease
分子名称: (1R,2R,3R)-2-[4-(1,3-oxazol-5-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, SODIUM ION, ...
著者Burli, R.W, Luckhurst, C.A, Aziz, O, Matthews, K.L, Yates, D, Lyons, K.A, Beconi, M, McAllister, G, Breccia, P, Stott, A.J, Penrose, S.D, Wall, M, Lamers, M, Leonard, P, Mueller, I, Richardson, C.M, Jarvis, R, Stones, L, Hughes, S, Wishart, G, Haughan, A.F, O'Connell, C, Mead, T, McNeil, H, Vann, J, Mangette, J, Maillard, M, Beaumont, V, Munoz-Sanjuan, I, Dominguez, C.
登録日2013-10-17
公開日2013-12-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease.
J. Med. Chem., 56, 2013
4CBT
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BU of 4cbt by Molmil
Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease
分子名称: (1R,2R,3R)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, ZINC ION
著者Burli, R.W, Luckhurst, C.A, Aziz, O, Matthews, K.L, Yates, D, Lyons, K.A, Beconi, M, McAllister, G, Breccia, P, Stott, A.J, Penrose, S.D, Wall, M, Lamers, M, Leonard, P, Mueller, I, Richardson, C.M, Jarvis, R, Stones, L, Hughes, S, Wishart, G, Haughan, A.F, O'Connell, C, Mead, T, McNeil, H, Vann, J, Mangette, J, Maillard, M, Beaumont, V, Munoz-Sanjuan, I, Dominguez, C.
登録日2013-10-16
公開日2013-12-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease.
J. Med. Chem., 56, 2013
3ISP
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BU of 3isp by Molmil
Crystal structure of ArgP from Mycobacterium tuberculosis
分子名称: HTH-type transcriptional regulator Rv1985c/MT2039
著者Zhou, X, Lou, Z, Sheng, F, Bartlam, M, Wang, H, Rao, Z.
登録日2009-08-27
公開日2010-02-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of ArgP from Mycobacterium tuberculosis Confirms Two Distinct Conformations of Full-length LysR Transcriptional Regulators and Reveals Its Function in DNA Binding and Transcriptional Regulation.
J.Mol.Biol., 2009
6Y9K
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BU of 6y9k by Molmil
Esterase EST8 with transacylase activity
分子名称: Esterase Est8
著者Palm, G.J, Lammers, M, Berndt, L.
登録日2020-03-09
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Sequence-Based Prediction of Promiscuous Acyltransferase Activity in Hydrolases.
Angew.Chem.Int.Ed.Engl., 59, 2020
1C76
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STAPHYLOKINASE (SAK) MONOMER
分子名称: STAPHYLOKINASE
著者Rao, Z, Jiang, F, Liu, Y, Zhang, X, Chen, Y, Bartlam, M, Song, H, Ding, Y.
登録日2000-02-01
公開日2000-08-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of Staphylokinase Dimer Offers New Clue to Reduction of Immunogenicity
To be published
1C78
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BU of 1c78 by Molmil
STAPHYLOKINASE (SAK) DIMER
分子名称: STAPHYLOKINASE
著者Rao, Z, Jiang, F, Liu, Y, Zhang, X, Chen, Y, Bartlam, M, Song, H, Ding, Y.
登録日2000-02-01
公開日2000-08-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a staphylokinase: variant a model for reduced antigenicity.
Eur.J.Biochem., 269, 2002
1C77
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STAPHYLOKINASE (SAK) DIMER
分子名称: STAPHYLOKINASE
著者Rao, Z, Jiang, F, Liu, Y, Zhang, X, Chen, Y, Bartlam, M, Song, H, Ding, Y.
登録日2000-02-01
公開日2000-08-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a staphylokinase: variant a model for reduced antigenicity.
Eur.J.Biochem., 269, 2002
1C79
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BU of 1c79 by Molmil
STAPHYLOKINASE (SAK) DIMER
分子名称: STAPHYLOKINASE
著者Rao, Z, Jiang, F, Liu, Y, Zhang, X, Chen, Y, Bartlam, M, Song, H, Ding, Y.
登録日2000-02-01
公開日2000-08-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a staphylokinase: variant a model for reduced antigenicity.
Eur.J.Biochem., 269, 2002
1Z2C
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BU of 1z2c by Molmil
Crystal structure of mDIA1 GBD-FH3 in complex with RhoC-GMPPNP
分子名称: Diaphanous protein homolog 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Rose, R, Weyand, M, Lammers, M, Ishizaki, T, Ahmadian, M.R, Wittinghofer, A.
登録日2005-03-08
公開日2005-05-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and mechanistic insights into the interaction between Rho and mammalian Dia.
Nature, 435, 2005
1JS1
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BU of 1js1 by Molmil
Crystal Structure of a new transcarbamylase from the anaerobic bacterium Bacteroides fragilis at 2.0 A resolution
分子名称: PHOSPHATE ION, Transcarbamylase
著者Shi, D, Gallegos, R, DePonte III, J, Morizono, H, Yu, X, Allewell, N.M, Malamy, M, Tuchman, M.
登録日2001-08-15
公開日2002-07-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a transcarbamylase-like protein from the anaerobic bacterium Bacteroides fragilis at 2.0 A resolution.
J.Mol.Biol., 320, 2002
7D50
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BU of 7d50 by Molmil
SpuA mutant - H221N with glutamyl-thioester
分子名称: MAGNESIUM ION, Probable glutamine amidotransferase
著者Chen, Y, Zhang, Q, Bartlam, M.
登録日2020-09-24
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
7D9F
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BU of 7d9f by Molmil
SpdH Spermidine dehydrogenase SeMet Structure
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Che, S, Zhang, Q, Bartlam, M.
登録日2020-10-13
公開日2021-11-17
最終更新日2022-04-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of Pseudomonas aeruginosa spermidine dehydrogenase: a polyamine oxidase with a novel heme-binding fold.
Febs J., 289, 2022
7D9J
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SpdH Spermidine dehydrogenase Y443A mutant
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Che, S, Zhang, Q, Bartlam, M.
登録日2020-10-13
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structure of Pseudomonas aeruginosa spermidine dehydrogenase: a polyamine oxidase with a novel heme-binding fold.
Febs J., 289, 2022
7D9I
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SpdH Spermidine dehydrogenase D282A mutant
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, PROTOPORPHYRIN IX CONTAINING FE, Spermidine dehydrogenase, ...
著者Che, S, Zhang, Q, Bartlam, M.
登録日2020-10-13
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of Pseudomonas aeruginosa spermidine dehydrogenase: a polyamine oxidase with a novel heme-binding fold.
Febs J., 289, 2022
7D9H
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SpdH Spermidine dehydrogenase N33 truncation structure
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Che, S, Zhang, Q, Bartlam, M.
登録日2020-10-13
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structure of Pseudomonas aeruginosa spermidine dehydrogenase: a polyamine oxidase with a novel heme-binding fold.
Febs J., 289, 2022
7D9G
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BU of 7d9g by Molmil
SpdH Spermidine dehydrogenase native structure
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, PROTOPORPHYRIN IX CONTAINING FE, Spermidine dehydrogenase, ...
著者Che, S, Zhang, Q, Bartlam, M.
登録日2020-10-13
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of Pseudomonas aeruginosa spermidine dehydrogenase: a polyamine oxidase with a novel heme-binding fold.
Febs J., 289, 2022
7ATL
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BU of 7atl by Molmil
EstCE1, a hydrolase with promiscuous acyltransferase activity
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Esterase, ...
著者Palm, G.J, Lammers, M, Berndt, L.
登録日2020-10-30
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.478 Å)
主引用文献Discovery and Design of Family VIII Carboxylesterases as Highly Efficient Acyltransferases.
Angew.Chem.Int.Ed.Engl., 60, 2021
7AH1
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BU of 7ah1 by Molmil
L19 diabody fragment from immunocytokine L19-IL2
分子名称: Anti-(ED-B) scFV
著者Ongaro, T, Guarino, S.R, Scietti, L, Palamini, M, Wulhfard, S, Villa, A, Neri, D, Forneris, F.
登録日2020-09-23
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inference of molecular structure for characterization and improvement of clinical grade immunocytokines.
J.Struct.Biol., 213, 2021
5WQP
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BU of 5wqp by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition II)
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICOTINAMIDE, PHOSPHATE ION, ...
著者Li, S, Wang, Y, Bartlam, M.
登録日2016-11-27
公開日2017-10-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
7E7G
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BU of 7e7g by Molmil
2-aminoethylphosphonate:pyruvate aminotransferase (AEPT) native
分子名称: 2-aminoethylphosphonate--pyruvate transaminase
著者Jia, H, Zhang, Q, Bartlam, M.
登録日2021-02-26
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural characterization of a 2-aminoethylphosphonate:pyruvate aminotransferase from Pseudomonas aeruginosa PAO1.
Biochem.Biophys.Res.Commun., 552, 2021
5WQN
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BU of 5wqn by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 (condition II)
分子名称: Probable dehydrogenase
著者Li, S, Wang, Y, Bartlam, M.
登録日2016-11-27
公開日2017-10-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
3JU5
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BU of 3ju5 by Molmil
Crystal Structure of Dimeric Arginine Kinase at 1.75-A Resolution
分子名称: Arginine kinase, MAGNESIUM ION
著者Wu, X, Ye, S, Guo, S, Yan, W, Bartlam, M, Rao, Z.
登録日2009-09-14
公開日2009-09-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for a reciprocating mechanism of negative cooperativity in dimeric phosphagen kinase activity
Faseb J., 24, 2010
5YKR
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Crystal structure of a glutamate-1-semialdehyde-aminomutase from Pseudomonas aeruginosa PAO1
分子名称: Probable aminotransferase
著者Li, S, Zhang, Q, Bartlam, M.
登録日2017-10-16
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Crystal structure of a glutamate-1-semialdehyde-aminomutase from Pseudomonas aeruginosa PAO1.
Biochem. Biophys. Res. Commun., 500, 2018

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