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5VOF
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BU of 5vof by Molmil
DesGla-XaS195A Bound to Aptamer 11F7t and Rivaroxaban
Descriptor: 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide, CALCIUM ION, Coagulation factor X, ...
Authors:Krishnaswamy, S, Kumar, S.
Deposit date:2017-05-02
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass.
Nat. Biotechnol., 36, 2018
3C1Q
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BU of 3c1q by Molmil
The three-dimensional structure of the cytoplasmic domains of EpsF from the Type 2 Secretion System of Vibrio cholerae
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CALCIUM ION, CHLORIDE ION, ...
Authors:Abendroth, J, Mitchell, D.D, Korotkov, K.V, Kreeger, A, Hol, W.G.J.
Deposit date:2008-01-24
Release date:2009-02-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The three-dimensional structure of the cytoplasmic domains of EpsF from the type 2 secretion system of Vibrio cholerae
J.Struct.Biol., 166, 2009
3MLC
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BU of 3mlc by Molmil
Crystal structure of FG41MSAD inactivated by 3-chloropropiolate
Descriptor: 3-chloro-3-oxopropanoic acid, FG41 Malonate Semialdehyde Decarboxylase
Authors:Guo, Y, Serrano, H, Poelarends, G.J, Johnson Jr, W.H, Hackert, M.L, Whitman, C.P.
Deposit date:2010-04-16
Release date:2011-04-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.224 Å)
Cite:Kinetic, Mutational, and Structural Analysis of Malonate Semialdehyde Decarboxylase from Coryneform Bacterium Strain FG41: Mechanistic Implications for the Decarboxylase and Hydratase Activities.
Biochemistry, 52, 2013
5GHY
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BU of 5ghy by Molmil
Crystal structure of beta-lactamase PenP mutant-E166H in complex with cephaloridine as "post-acylation" intermediate
Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2016-06-21
Release date:2017-01-25
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic Snapshots of Class A beta-Lactamase Catalysis Reveal Structural Changes That Facilitate beta-Lactam Hydrolysis
J. Biol. Chem., 292, 2017
3M9Y
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BU of 3m9y by Molmil
Crystal structure of Triosephosphate isomerase from methicillin resistant Staphylococcus aureus at 1.9 Angstrom resolution
Descriptor: CITRIC ACID, SODIUM ION, Triosephosphate isomerase
Authors:Mukherjee, S, Dutta, D, Saha, B, Das, A.K.
Deposit date:2010-03-23
Release date:2011-04-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of triosephosphate isomerase from methicillin resistant Staphylococcus aureus MRSA252 provide structural insights into novel modes of ligand binding and unique conformations of catalytic loop
Biochimie, 94, 2012
4NWJ
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BU of 4nwj by Molmil
Crystal structure of phosphopglycerate mutase from Staphylococcus aureus in 3-phosphoglyceric acid bound form.
Descriptor: 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, 3-PHOSPHOGLYCERIC ACID, MANGANESE (II) ION
Authors:Roychowdhury, A, Bose, M, Kundu, A, Gujar, A, Das, A.K.
Deposit date:2013-12-06
Release date:2015-01-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Complete catalytic cycle of cofactor-independent phosphoglycerate mutase involves a spring-loaded mechanism
Febs J., 282, 2015
3MOS
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BU of 3mos by Molmil
The structure of human Transketolase
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ...
Authors:Parthier, C, Tittmann, K.
Deposit date:2010-04-23
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The crystal structure of human transketolase and new insights into its mode of action.
J.Biol.Chem., 285, 2010
3CDC
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BU of 3cdc by Molmil
kI O18/O8 N34I/Y87H immunoglobulin light chain variable domain
Descriptor: Light Chain Amyloidogenic
Authors:Baden, E.M, Randles, E.G, Thompson, J.R, Ramirez-Alvarado, M.
Deposit date:2008-02-26
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural insights into the role of mutations in amyloidogenesis.
J.Biol.Chem., 283, 2008
4NQW
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BU of 4nqw by Molmil
Structure of Mycobacterium tuberculosis extracytoplasmic function sigma factor SigK in complex with the cytosolic domain of its cognate anti-sigma factor RskA
Descriptor: Anti-sigma-K factor RskA, CADMIUM ION, ECF RNA polymerase sigma factor SigK
Authors:Shukla, J.K, Gopal, B.
Deposit date:2013-11-25
Release date:2014-01-22
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the redox sensitivity of the Mycobacterium tuberculosis SigK-RskA sigma-anti-sigma complex
Acta Crystallogr.,Sect.D, 70, 2014
5GHZ
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BU of 5ghz by Molmil
Crystal structure of beta-lactamase PenP mutant-E166H in complex with cephaloridine as "pre-deacylation" intermediate
Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2016-06-21
Release date:2017-01-25
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystallographic Snapshots of Class A beta-Lactamase Catalysis Reveal Structural Changes That Facilitate beta-Lactam Hydrolysis
J. Biol. Chem., 292, 2017
3CDF
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BU of 3cdf by Molmil
kI O18/O8 Y87H immunoglobulin light chain variable domain
Descriptor: IMMUNOGLOBULIN LIGHT CHAIN
Authors:Baden, E.M, Randles, E.G, Thompson, J.R, Ramirez-Alvarado, M.
Deposit date:2008-02-26
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural insights into the role of mutations in amyloidogenesis.
J.Biol.Chem., 283, 2008
3CVL
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BU of 3cvl by Molmil
Structure of Peroxisomal Targeting Signal 1 (PTS1) binding domain of Trypanosoma brucei Peroxin 5 (TbPEX5)complexed to T. brucei Phosphofructokinase (PFK) PTS1 peptide
Descriptor: Peroxisome targeting signal 1 receptor PEX5, T. brucei PFK PTS1 peptide Ac-HEELAKL
Authors:Sampathkumar, P, Roach, C, Michels, P.A.M, Hol, W.G.J.
Deposit date:2008-04-18
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Insights into the recognition of peroxisomal targeting signal 1 by Trypanosoma brucei peroxin 5.
J.Mol.Biol., 381, 2008
4LYS
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BU of 4lys by Molmil
Crystal Structure of BRD4(1) bound to Colchiceine
Descriptor: Bromodomain-containing protein 4, N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide, SODIUM ION
Authors:Wohlwend, D, Gerhardt, S, Einsle, O.
Deposit date:2013-07-31
Release date:2014-01-15
Last modified:2014-01-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
4M8Q
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BU of 4m8q by Molmil
Ontogeny of recognition specificity and functionality for the anti-HIV neutralizing antibody 4E10
Descriptor: 4E10 epitope scaffold T117, GEP1 Fv heavy chain, GEP1 Fv light chain
Authors:Finton, K.A.K.
Deposit date:2013-08-13
Release date:2014-10-08
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Ontogeny of Recognition Specificity and Functionality for the Broadly Neutralizing Anti-HIV Antibody 4E10.
Plos Pathog., 10, 2014
4MEZ
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BU of 4mez by Molmil
Crystal structure of M68L/M69T double mutant TEM-1
Descriptor: Beta-lactamase TEM, CHLORIDE ION, GLYCEROL, ...
Authors:Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M.
Deposit date:2013-08-27
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:The Structural Dynamics of Engineered beta-Lactamases Vary Broadly on Three Timescales yet Sustain Native Function.
Sci Rep, 9, 2019
5HVT
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BU of 5hvt by Molmil
Crystal Structure of Macrophage Migration Inhibitory Factor (MIF) with a Potent Inhibitor (NVS-2)
Descriptor: 7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,3-benzoxazin-2-one, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Robertson, M.J, Jorgensen, W.L.
Deposit date:2016-01-28
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Fluorescence Polarization Assay for Binding to Macrophage Migration Inhibitory Factor and Crystal Structures for Complexes of Two Potent Inhibitors.
J.Am.Chem.Soc., 138, 2016
3PMA
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BU of 3pma by Molmil
2.2 Angstrom crystal structure of the complex between Bovine Thrombin and Sucrose Octasulfate
Descriptor: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, CITRIC ACID, SODIUM ION, ...
Authors:Wright, H.T, Scarsdale, J.N, Desai, B.J.
Deposit date:2010-11-16
Release date:2011-07-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Interaction of thrombin with sucrose octasulfate.
Biochemistry, 50, 2011
3Q41
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BU of 3q41 by Molmil
Crystal structure of the GluN1 N-terminal domain (NTD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glutamate [NMDA] receptor subunit zeta-1
Authors:Farina, A.N, Blain, K.Y, Maruo, T, Kwiatkowski, W, Choe, S, Nakagawa, T.
Deposit date:2010-12-22
Release date:2011-03-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Separation of Domain Contacts Is Required for Heterotetrameric Assembly of Functional NMDA Receptors.
J.Neurosci., 31, 2011
4O1N
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BU of 4o1n by Molmil
Crystal structure of Staphylococcal superantigen-like protein SAOUHSC_00383
Descriptor: GLYCEROL, Superantigen-like protein
Authors:Dutta, D, Dutta, A, Basak, A, Das, A.K.
Deposit date:2013-12-16
Release date:2014-12-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Staphylococcal superantigen-like protein SAOUHSC_00383
To be Published
4O4Y
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BU of 4o4y by Molmil
Crystal structure of the anti-hinge rabbit antibody 2095-2 in complex with IDES hinge peptide
Descriptor: 2095-2 heavy chain, 2095-2 light chain, GLYCEROL, ...
Authors:Malia, T.J, Teplyakov, A, Luo, J, Gilliland, G.L.
Deposit date:2013-12-19
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and specificity of an antibody targeting a proteolytically cleaved IgG hinge.
Proteins, 82, 2014
4OL4
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BU of 4ol4 by Molmil
Crystal structure of secreted proline rich antigen MTC28 (Rv0040c) from Mycobacterium tuberculosis
Descriptor: Proline-rich 28 kDa antigen
Authors:Kundu, P, Biswas, R, Mukherjee, S, Reinhard, L, Mueller-dieckmann, J, Weiss, M.S, Das, A.K.
Deposit date:2014-01-23
Release date:2015-01-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based Epitope Mapping of Mycobacterium tuberculosis Secretary Antigen MTC28
J.Biol.Chem., 291, 2016
4OW8
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BU of 4ow8 by Molmil
Crystal structure of kinase domain of PknA from Mtb
Descriptor: GLYCEROL, SULFATE ION, Serine/threonine-protein kinase PknA
Authors:Ravala, S.K, Singh, S, Yadav, G.S, Karthikeyan, S, Chakraborti, P.K.
Deposit date:2014-01-31
Release date:2015-02-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Evidence that phosphorylation of threonine in the GT motif triggers activation of PknA, a eukaryotic-type serine/threonine kinase from Mycobacterium tuberculosis.
Febs J., 282, 2015
3CVN
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BU of 3cvn by Molmil
Structure of Peroxisomal Targeting Signal 1 (PTS1) binding domain of Trypanosoma brucei Peroxin 5 (TbPEX5)complexed to T. brucei Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) PTS1 peptide
Descriptor: 1,2-ETHANEDIOL, Peroxisome targeting signal 1 receptor, T. brucei GAPDH PTS1 peptide Ac-DRDAAKL
Authors:Sampathkumar, P, Roach, C, Michels, P.A.M, Hol, W.G.J.
Deposit date:2008-04-18
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into the recognition of peroxisomal targeting signal 1 by Trypanosoma brucei peroxin 5.
J.Mol.Biol., 381, 2008
3CVP
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BU of 3cvp by Molmil
Structure of Peroxisomal Targeting Signal 1 (PTS1) binding domain of Trypanosoma brucei Peroxin 5 (TbPEX5)complexed to PTS1 peptide (10-SKL)
Descriptor: 10-SKL PTS1 peptide Ac-GTLSNRASKL, Peroxisome targeting signal 1 receptor PEX5
Authors:Sampathkumar, P, Roach, C, Michels, P.A.M, Hol, W.G.J.
Deposit date:2008-04-18
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into the recognition of peroxisomal targeting signal 1 by Trypanosoma brucei peroxin 5.
J.Mol.Biol., 381, 2008
3R8A
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BU of 3r8a by Molmil
X-ray crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a compound with dual PPAR gamma agonism and Angiotensin II Type I receptor antagonism activity
Descriptor: 2-ethyl-5,7-dimethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3H-imidazo[4,5-b]pyridine, Peroxisome proliferator-activated receptor gamma
Authors:Ohren, J.F.
Deposit date:2011-03-23
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Discovery of a Series of Imidazo[4,5-b]pyridines with Dual Activity at Angiotensin II Type 1 Receptor and Peroxisome Proliferator-Activated Receptor-gamma.
J.Med.Chem., 54, 2011

223790

数据于2024-08-14公开中

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