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5MZC
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BU of 5mzc by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-ethoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
Descriptor: 3-(5-chloranyl-6-ethoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rowland, P.
Deposit date:2017-01-31
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis.
J. Med. Chem., 60, 2017
8RTH
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BU of 8rth by Molmil
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase
Descriptor: 3-methylcrotonyl-CoA carboxylase, putative, 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ...
Authors:Ruiz, F.M, Plaza-Pegueroles, A, Fernandez-Tornero, C.
Deposit date:2024-01-26
Release date:2024-04-17
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.37 Å)
Cite:The cryo-EM structure of trypanosome 3-methylcrotonyl-CoA carboxylase provides mechanistic and dynamic insights into its enzymatic function.
Structure, 32, 2024
5MZI
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BU of 5mzi by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
Descriptor: 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rowland, P.
Deposit date:2017-01-31
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis.
J. Med. Chem., 60, 2017
5N7T
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BU of 5n7t by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5,6-dichloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
Descriptor: 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rowland, P.
Deposit date:2017-02-21
Release date:2017-06-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The discovery of potent and selective kynurenine 3-monooxygenase inhibitors for the treatment of acute pancreatitis.
Bioorg. Med. Chem. Lett., 27, 2017
2CIO
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BU of 2cio by Molmil
The high resolution x-ray structure of papain complexed with fragments of the Trypanosoma brucei cysteine protease inhibitor ICP.
Descriptor: ACETATE ION, GLYCEROL, INHIBITOR OF CYSTEINE PEPTIDASE, ...
Authors:Alphey, M.S, Hunter, W.N.
Deposit date:2006-03-24
Release date:2006-05-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High-Resolution Complex of Papain with Remnants of a Cysteine Protease Inhibitor Derived from Trypanosoma Brucei
Acta Crystallogr.,Sect.F, 62, 2006
5NAB
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BU of 5nab by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
Descriptor: 3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rowland, P.
Deposit date:2017-02-27
Release date:2017-06-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase.
Nat Commun, 8, 2017
4OL9
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BU of 4ol9 by Molmil
Crystal Structure of putative 2-dehydropantoate 2-reductase PanE from Mycobacterium tuberculosis complexed with NADP and oxamate
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-01-23
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of putative 2-dehydropantoate 2-reductase PanE from Mycobacterium tuberculosis complexed with NADP and oxamate
To be Published
5GNX
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BU of 5gnx by Molmil
The E171Q mutant structure of Bgl6
Descriptor: Beta-glucosidase, GLYCEROL, PROPANOIC ACID, ...
Authors:Xie, W, Pang, P, Cao, L.C, Liu, Y.H, Wang, Z.
Deposit date:2016-07-25
Release date:2017-04-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of a glucose-tolerant beta-glucosidase provide insights into its mechanism.
J. Struct. Biol., 198, 2017
4MSS
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BU of 4mss by Molmil
Crystal structure of Burkholderia cenocepacia family 3 glycoside hydrolase (NagZ) bound to (3S,4R,5R,6S)-3-acetamido-4,5,6-trihydroxyazepane
Descriptor: Beta-hexosaminidase 1, GLYCEROL, N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]acetamide
Authors:Vadlamani, G, Mark, B.L.
Deposit date:2013-09-18
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Selective trihydroxyazepane NagZ inhibitors increase sensitivity of Pseudomonas aeruginosa to beta-lactams.
Chem.Commun.(Camb.), 49, 2013
5EIZ
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BU of 5eiz by Molmil
Crystal structure of Y99A mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2015-10-30
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74.
Angew. Chem. Int. Ed. Engl., 2018
5JV5
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BU of 5jv5 by Molmil
Trypanosome brucei Hypoxanthine-guanine phosphoribosyltranferase in complex with Guanosine 5' monophosphate
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, ...
Authors:Teran, D, Guddat, L.
Deposit date:2016-05-10
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Crystal structures and inhibition of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase.
Sci Rep, 6, 2016
5KAP
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BU of 5kap by Molmil
Trypanosome brucei Hypoxanthine-guanine phosphoribosyltranferase in complex with a 9-(4-(phosphonobutil)hypoxanthine
Descriptor: 4-(6-oxidanylidene-1~{H}-purin-9-yl)butylphosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, ...
Authors:Teran, D, Guddat, L.
Deposit date:2016-06-01
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structures and inhibition of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase.
Sci Rep, 6, 2016
6BG7
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BU of 6bg7 by Molmil
Crystal structure of G107A mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2017-10-27
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74.
Angew. Chem. Int. Ed. Engl., 57, 2018
6BG6
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BU of 6bg6 by Molmil
Crystal structure of S111A mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2017-10-27
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74.
Angew. Chem. Int. Ed. Engl., 57, 2018
5K29
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BU of 5k29 by Molmil
Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000)
Descriptor: UNKNOWN ATOM OR ION, uncharacterized protein BDF5
Authors:Lin, Y.H, Tempel, W, Walker, J.R, Loppnau, P, Amani, M, Hou, C.F.D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2016-05-18
Release date:2016-07-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000)
To Be Published
4QP3
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BU of 4qp3 by Molmil
Crystal Structure of ERK2 in complex with (S)-2-((9H-purin-6-yl)amino)-3-phenylpropan-1-ol
Descriptor: (2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
7T5J
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BU of 7t5j by Molmil
Crystal Structure of Strictosidine Synthase in complex with S-IPA (2-(1H-indol-3-yl) propan-1-amine)
Descriptor: (2S)-2-(1H-indol-3-yl)propan-1-amine, Strictosidine synthase
Authors:Liu, H, Panjikar, S, Futamura, Y, Shao, N, Osada, H, Zou, H.
Deposit date:2021-12-12
Release date:2022-12-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:beta-Branched Tryptamine Provoked Non Sandwich-Like-Mode Catalysis of Strictosidine Synthase to Antimalarial Indole Alkaloids
to be published
7T5I
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BU of 7t5i by Molmil
Crystal Structure of Strictosidine Synthase in complex with R-IPA(2-(1H-indol-3-yl) propan-1-amine)
Descriptor: (2R)-2-(1H-indol-3-yl)propan-1-amine, Strictosidine synthase
Authors:Liu, H, Panjikar, S, Futamura, Y, Shao, N, Osada, H, Zou, H.
Deposit date:2021-12-12
Release date:2022-12-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Beta-Branched Tryptamine Provoked Non Sandwich-Like-Mode Catalysis of Strictosidine Synthase to Antimalarial Indole Alkaloids
to be published
9AXO
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BU of 9axo by Molmil
Crystal Structure of Antibody HY11-7E1_Ch2 Fab in Complex with Fentanyl
Descriptor: GLYCEROL, HY11-7E1_Ch2 Fab Heavy Chain, HY11-7E1_Ch2 Fab Light Chain, ...
Authors:Rodarte, J.V, Pancera, M.
Deposit date:2024-03-06
Release date:2024-10-02
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Engineering of Monoclonal Antibodies for Improved Binding to Counteract the Effects of Fentanyl and Carfentanil.
Acs Omega, 9, 2024
6R9P
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BU of 6r9p by Molmil
Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with AAUUAA RNA
Descriptor: AAUUAA RNA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2
Authors:Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A.
Deposit date:2019-04-03
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:The intrinsic structure of poly(A) RNA determines the specificity of Pan2 and Caf1 deadenylases.
Nat.Struct.Mol.Biol., 26, 2019
6R9O
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BU of 6r9o by Molmil
Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with AAGGA RNA
Descriptor: AAGGA RNA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2
Authors:Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A.
Deposit date:2019-04-03
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.319 Å)
Cite:The intrinsic structure of poly(A) RNA determines the specificity of Pan2 and Caf1 deadenylases.
Nat.Struct.Mol.Biol., 26, 2019
6XOC
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BU of 6xoc by Molmil
Crystal structure of glVRC01 Fab in complex with anti-idiotypic iv4 Fab
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Aljedani, S.S, Weidle, C, Pancera, M.
Deposit date:2020-07-06
Release date:2021-03-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Development of a VRC01-class germline targeting immunogen derived from anti-idiotypic antibodies.
Cell Rep, 35, 2021
6R9M
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BU of 6r9m by Molmil
Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with AAGGAA RNA
Descriptor: AAGGAA RNA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2
Authors:Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A.
Deposit date:2019-04-03
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.329 Å)
Cite:The intrinsic structure of poly(A) RNA determines the specificity of Pan2 and Caf1 deadenylases.
Nat.Struct.Mol.Biol., 26, 2019
6R9Q
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BU of 6r9q by Molmil
Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with AACCAA RNA
Descriptor: AACCAA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2
Authors:Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A.
Deposit date:2019-04-03
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.079 Å)
Cite:The intrinsic structure of poly(A) RNA determines the specificity of Pan2 and Caf1 deadenylases.
Nat.Struct.Mol.Biol., 26, 2019
6R9J
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BU of 6r9j by Molmil
Structure of Saccharomyces cerevisiae apo Pan2 pseudoubiquitin hydrolase-RNA exonuclease (UCH-Exo) module in complex with A7 RNA
Descriptor: A7 RNA, PAN2-PAN3 deadenylation complex catalytic subunit PAN2
Authors:Tang, T.T.L, Stowell, J.A.W, Hill, C.H, Passmore, L.A.
Deposit date:2019-04-03
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.326 Å)
Cite:The intrinsic structure of poly(A) RNA determines the specificity of Pan2 and Caf1 deadenylases.
Nat.Struct.Mol.Biol., 26, 2019

238582

数据于2025-07-09公开中

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