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4S2J
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BU of 4s2j by Molmil
OXA-48 in complex with Avibactam at pH 6.5
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2015-01-20
Release date:2015-02-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
7LNN
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BU of 7lnn by Molmil
E. coli S-adenosyl methionine transferase co-crystallized with guanosine-5'-imidotriphosphate
Descriptor: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Tan, L.L, Jackson, C.J.
Deposit date:2021-02-08
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
3ANQ
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BU of 3anq by Molmil
human DYRK1A/inhibitor complex
Descriptor: (1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3H)-ylidene)propan-2-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Nonaka, Y, Hosoya, T, Hagiwara, M, Ito, N.
Deposit date:2010-09-06
Release date:2010-11-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Development of a novel selective inhibitor of the Down syndrome-related kinase Dyrk1A
Nat Commun, 1, 2010
4S2O
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BU of 4s2o by Molmil
OXA-10 in complex with Avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, COBALT (II) ION
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2015-01-21
Release date:2015-02-25
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
4RPB
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BU of 4rpb by Molmil
Crystal Structure of P Domain of Snow Mountain Norovirus
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1
Authors:Singh, B.K, Hansman, G.S.
Deposit date:2014-10-30
Release date:2016-06-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural Constraints on Human Norovirus Binding to Histo-Blood Group Antigens.
Msphere, 1, 2016
3FQ1
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BU of 3fq1 by Molmil
Azurin C112D/M121I
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION
Authors:Lancaster, K.M, Gray, H.B.
Deposit date:2009-01-06
Release date:2009-11-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Type Zero Copper Proteins.
Nat Chem, 1, 2009
3EAO
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BU of 3eao by Molmil
Crystal structure of recombinant rat selenoprotein thioredoxin reductase 1 with oxidized C-terminal tail
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 1, ...
Authors:Sandalova, T, Cheng, Q, Lindqvist, Y, Arner, E.
Deposit date:2008-08-26
Release date:2008-12-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure and catalysis of the selenoprotein thioredoxin reductase 1.
J.Biol.Chem., 284, 2009
4S2I
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BU of 4s2i by Molmil
CTX-M-15 in complex with Avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2015-01-20
Release date:2015-02-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
4CMB
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BU of 4cmb by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: ACETATE ION, N4-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-16
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
3ES4
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BU of 3es4 by Molmil
Crystal structure of Protein of unknown function (DUF861) with a RmlC-like cupin fold (17741406) from AGROBACTERIUM TUMEFACIENS str. C58 (Dupont) at 1.64 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, uncharacterized protein DUF861 with a RmlC-like cupin fold
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-10-03
Release date:2008-10-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of Protein of unknown function (DUF861) with a RmlC-like cupin fold (17741406) from AGROBACTERIUM TUMEFACIENS str. C58 (Dupont) at 1.64 A resolution
To be published
3NUY
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BU of 3nuy by Molmil
phosphoinositide-dependent kinase-1 (PDK1) with fragment17
Descriptor: GLYCEROL, PkB-like, SULFATE ION, ...
Authors:Campobasso, N, Ward, P.
Deposit date:2010-07-07
Release date:2011-05-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.
ACS Med Chem Lett, 1, 2010
3FQ2
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BU of 3fq2 by Molmil
Azurin C112D/M121F
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION
Authors:Lancaster, K.M, Gray, H.B.
Deposit date:2009-01-06
Release date:2009-11-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Type Zero Copper Proteins.
Nat Chem, 1, 2009
6UDJ
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BU of 6udj by Molmil
HIV-1 bNAb 1-18 in complex with BG505 SOSIP.664 and 10-1074
Descriptor: 1-18 Fab Heavy Chain, 1-18 Fab Light Chain, 10-1074 Fab Heavy Chain, ...
Authors:Abernathy, M.E, Barnes, C.O, Gristick, H.B, Bjorkman, P.J.
Deposit date:2019-09-19
Release date:2020-01-29
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Restriction of HIV-1 Escape by a Highly Broad and Potent Neutralizing Antibody.
Cell, 180, 2020
6UDK
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BU of 6udk by Molmil
HIV-1 bNAb 1-55 in complex with modified BG505 SOSIP-based immunogen RC1 and 10-1074
Descriptor: 1-55 Fab Heavy Chain, 1-55 Fab Light Chain, 10-1074 Fab Heavy Chain, ...
Authors:Abernathy, M.E, Barnes, C.O, Gristick, H.B, Bjorkman, P.J.
Deposit date:2019-09-19
Release date:2020-01-29
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Restriction of HIV-1 Escape by a Highly Broad and Potent Neutralizing Antibody.
Cell, 180, 2020
3N5L
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BU of 3n5l by Molmil
Crystal structure of a binding protein component of ABC phosphonate transporter (PA3383) from Pseudomonas aeruginosa at 1.97 A resolution
Descriptor: 1,2-ETHANEDIOL, Binding protein component of ABC phosphonate transporter, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-05-25
Release date:2010-06-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of a binding protein component of ABC phosphonate transporter (PA3383) from Pseudomonas aeruginosa at 1.97 A resolution
To be published
4P62
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BU of 4p62 by Molmil
Directed evolution of a B3 metallo-beta-lactamase AIM-1
Descriptor: 1,2-ETHANEDIOL, Metallo-beta-lactamase AIM-1, ZINC ION
Authors:Hou, C.-F.D, Collyer, C, Ollis, D.L.
Deposit date:2014-03-21
Release date:2015-05-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Directed evolution of a B3 metallo-beta-lactamase AIM-1
To Be Published
3FPY
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BU of 3fpy by Molmil
Azurin C112D/M121L
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION
Authors:Lancaster, K.M, Gray, H.B.
Deposit date:2009-01-06
Release date:2009-11-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Type Zero Copper Proteins.
Nat Chem, 1, 2009
4CMI
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BU of 4cmi by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2-amino-6-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-16
Release date:2015-01-21
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CLX
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BU of 4clx by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2-amino-5-(p-tolyl)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
6F9R
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BU of 6f9r by Molmil
Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Sampatrilat-Asp.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2017-12-15
Release date:2018-03-07
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of sampatrilat and sampatrilat-Asp in complex with human ACE - a molecular basis for domain selectivity.
FEBS J., 285, 2018
5GGO
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BU of 5ggo by Molmil
Crystal structure of N-terminal domain of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase in complex with GalNac-beta1,3-GlcNAc-beta-pNP
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1
Authors:Kuwabara, N, Senda, T, Kato, R.
Deposit date:2016-06-16
Release date:2016-08-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan
Proc.Natl.Acad.Sci.USA, 113, 2016
1XSE
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BU of 1xse by Molmil
Crystal Structure of Guinea Pig 11beta-Hydroxysteroid Dehydrogenase Type 1
Descriptor: 11beta-hydroxysteroid dehydrogenase type 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Ogg, D, Elleby, B, Norstrom, C, Stefansson, K, Abrahmsen, L, Oppermann, U, Svensson, S.
Deposit date:2004-10-19
Release date:2004-11-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of guinea pig 11beta-hydroxysteroid dehydrogenase type 1 provides a model for enzyme-lipid bilayer interactions
J.Biol.Chem., 280, 2005
4CLR
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BU of 4clr by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2-amino-5-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CMC
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BU of 4cmc by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: N4-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-16
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CM6
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BU of 4cm6 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: (E)-2-amino-4-oxo-6-styryl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014

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數據於2025-10-01公開中

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