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5KXE
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BU of 5kxe by Molmil
Wisteria floribunda lectin in complex with GalNAc(beta1-4)GlcNAc (LacdiNAc) at pH 4.2
Descriptor: CALCIUM ION, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Evans, S.V, Haji-Ghassemi, O.
Deposit date:2016-07-20
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Molecular Basis for Recognition of the Cancer Glycobiomarker, LacdiNAc (GalNAc[ beta 14]GlcNAc), by Wisteria floribunda Agglutinin.
J.Biol.Chem., 291, 2016
1J6W
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BU of 1j6w by Molmil
CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE LUXS
Descriptor: AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION
Authors:Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G.
Deposit date:2001-05-14
Release date:2001-06-08
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs.
Structure, 9, 2001
3IAZ
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BU of 3iaz by Molmil
Structural basis of the prevention of NSAID-induced damage of the gastrointestinal tract by C-terminal half (C-lobe) of bovine colostrum protein lactoferrin: Binding and structural studies of the C-lobe complex with aspirin
Descriptor: 2-(ACETYLOXY)BENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ...
Authors:Mir, R, Singh, N, Sinha, M, Sharma, S, Kaur, P, Srinivasan, A, Singh, T.P.
Deposit date:2009-07-15
Release date:2009-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structural basis for the prevention of nonsteroidal antiinflammatory drug-induced gastrointestinal tract damage by the C-lobe of bovine colostrum lactoferrin
Biophys.J., 97, 2009
3NSF
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BU of 3nsf by Molmil
Apo form of the multicopper oxidase CueO
Descriptor: Blue copper oxidase cueO
Authors:Roberts, S.A, Montfort, W.R, Singh, S.K.
Deposit date:2010-07-01
Release date:2011-08-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of multicopper oxidase CueO bound to copper(I) and silver(I): functional role of a methionine-rich sequence.
J. Biol. Chem., 286, 2011
2UVN
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BU of 2uvn by Molmil
Crystal structure of econazole-bound CYP130 from Mycobacterium tuberculosis
Descriptor: 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE, CYTOCHROME P450 130, FLUORIDE ION, ...
Authors:Podust, L.M, Ortiz de Montellano, P.R.
Deposit date:2007-03-12
Release date:2007-12-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mycobacterium Tuberculosis Cyp130: Crystal Structure, Biophysical Characterization, and Interactions with Antifungal Azole Drugs
J.Biol.Chem., 283, 2008
4EAA
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BU of 4eaa by Molmil
X-ray crystal structure of the H141N mutant of perosamine N-acetyltransferase from Caulobacter crescentus in complex with CoA and GDP-perosamine
Descriptor: CHLORIDE ION, COENZYME A, GDP-perosamine, ...
Authors:Thoden, J.B, Reinhardt, L.A, Cook, P.D, Menden, P, Cleland, W.W, Holden, H.M.
Deposit date:2012-03-22
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Catalytic Mechanism of Perosamine N-Acetyltransferase Revealed by High-Resolution X-ray Crystallographic Studies and Kinetic Analyses.
Biochemistry, 51, 2012
4XPI
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BU of 4xpi by Molmil
Fe protein independent substrate reduction by nitrogenase variants altered in intramolecular electron transfer
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, ...
Authors:Danyal, K, Rasmusen, A.J, Keable, S.M, Shaw, S, Zadvornyy, O, Duval, S, Dean, D.R, Raugei, S, Peters, J.W, Seefeldt, L.C.
Deposit date:2015-01-17
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Fe protein-independent substrate reduction by nitrogenase MoFe protein variants.
Biochemistry, 54, 2015
2WZY
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BU of 2wzy by Molmil
Crystal structure of A-AChBP in complex with 13-desmethyl spirolide C
Descriptor: 13-DESMETHYL SPIROLIDE C, SOLUBLE ACETYLCHOLINE RECEPTOR
Authors:Bourne, Y, Radic, Z, Araoz, R, Talley, T.T, Benoit, E, Servent, D, Taylor, P, Molgo, J, Marchot, P.
Deposit date:2009-12-03
Release date:2010-03-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural Determinants in Phycotoxins and Achbp Conferring High Affinity Binding and Nicotinic Achr Antagonism.
Proc.Natl.Acad.Sci.USA, 107, 2010
8D95
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BU of 8d95 by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: Complement factor D, N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-09
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.166 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
4XPP
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BU of 4xpp by Molmil
Crystal structure of Pedobacter saltans GH31 alpha-galactosidase complexed with D-galactose
Descriptor: 1,2-ETHANEDIOL, Alpha-glucosidase, beta-D-galactopyranose
Authors:Miyazaki, T, Ishizaki, Y, Ichikawa, M, Nishikawa, A, Tonozuka, T.
Deposit date:2015-01-17
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and biochemical characterization of novel bacterial alpha-galactosidases belonging to glycoside hydrolase family 31
Biochem.J., 469, 2015
8TAD
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BU of 8tad by Molmil
RTA in complex with inhibitor RUNT-206
Descriptor: (9aM)-5,5-dimethyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid, CHLORIDE ION, NONAETHYLENE GLYCOL, ...
Authors:Rudolph, M.J, Tumer, N.
Deposit date:2023-06-27
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin.
Bioorg.Med.Chem., 100, 2024
2X7U
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BU of 2x7u by Molmil
Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors.
Descriptor: (9BETA,14BETA,17BETA)-17-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-3-YL SULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ...
Authors:Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L.
Deposit date:2010-03-03
Release date:2010-03-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors.
Biochemistry, 49, 2010
3INO
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BU of 3ino by Molmil
1.95A Resolution Structure of Protective Antigen Domain 4
Descriptor: Protective antigen PA-63
Authors:Lovell, S, Williams, A.S, Anbanandam, A, El-Chami, R, Bann, J.G.
Deposit date:2009-08-12
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Domain 4 of the anthrax protective antigen maintains structure and binding to the host receptor CMG2 at low pH
Protein Sci., 18, 2009
3O6Z
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BU of 3o6z by Molmil
Structure of the D152A E.coli GDP-mannose hydrolase (yffh) in complex with Mg++
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Amzel, L.M, Gabelli, S.B, Boto, A.N.
Deposit date:2010-07-29
Release date:2011-05-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition.
Proteins, 79, 2011
8T9V
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BU of 8t9v by Molmil
RTA-RUNT-59 complex structure
Descriptor: (9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid, NONAETHYLENE GLYCOL, Ricin
Authors:Rudolph, M.J, Tumer, N.
Deposit date:2023-06-26
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin.
Bioorg.Med.Chem., 100, 2024
8TAB
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BU of 8tab by Molmil
RTA-PD00589
Descriptor: 1,2-ETHANEDIOL, 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid, CHLORIDE ION, ...
Authors:Rudolph, M.J, Tumer, N.
Deposit date:2023-06-27
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin.
Bioorg.Med.Chem., 100, 2024
1YPQ
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BU of 1ypq by Molmil
Human Oxidized Low Density Lipoprotein Receptor LOX-1 Dioxane Complex
Descriptor: 1,4-DIETHYLENE DIOXIDE, oxidised low density lipoprotein (lectin-like) receptor 1
Authors:Park, H, Adsit, F.G, Boyington, J.C.
Deposit date:2005-01-31
Release date:2005-02-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The 1.4 angstrom crystal structure of the human oxidized low density lipoprotein receptor lox-1.
J.Biol.Chem., 280, 2005
1JDN
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BU of 1jdn by Molmil
Crystal Structure of Hormone Receptor
Descriptor: ATRIAL NATRIURETIC PEPTIDE CLEARANCE RECEPTOR, CHLORIDE ION, beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:He, X.-L, Chow, D.-C, Martick, M.M, Garcia, K.C.
Deposit date:2001-06-14
Release date:2001-09-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Allosteric activation of a spring-loaded natriuretic peptide receptor dimer by hormone.
Science, 293, 2001
7QFW
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BU of 7qfw by Molmil
S.c. Condensin peripheral Ycg1 subcomplex bound to DNA
Descriptor: Condensin complex subunit 2, Condensin complex subunit 3, Synthetic DNA ligand, ...
Authors:Lecomte, L, Hassler, M, Haering, C, Eustermann, S.
Deposit date:2021-12-06
Release date:2022-06-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:A hold-and-feed mechanism drives directional DNA loop extrusion by condensin.
Science, 376, 2022
2X7T
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BU of 2x7t by Molmil
Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors.
Descriptor: (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ...
Authors:Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L.
Deposit date:2010-03-03
Release date:2010-03-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors.
Biochemistry, 49, 2010
3O69
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BU of 3o69 by Molmil
Structure of the E100A E.coli GDP-mannose hydrolase (yffh) in complex with Mg++
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GDP-mannose pyrophosphatase nudK, ...
Authors:Amzel, L.M, Gabelli, S.B, Boto, A.N.
Deposit date:2010-07-28
Release date:2011-05-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition.
Proteins, 79, 2011
4XPQ
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BU of 4xpq by Molmil
Crystal structure of Pedobacter saltans GH31 alpha-galactosidase complexed with L-fucose
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-glucosidase, ...
Authors:Miyazaki, T, Ishizaki, Y, Ichikawa, M, Nishikawa, A, Tonozuka, T.
Deposit date:2015-01-17
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and biochemical characterization of novel bacterial alpha-galactosidases belonging to glycoside hydrolase family 31
Biochem.J., 469, 2015
5FM2
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BU of 5fm2 by Molmil
Crystal structure of hyper-phosphorylated RET kinase domain with (proximal) juxtamembrane segment
Descriptor: 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
Authors:Plaza-Menacho, I, Barnouin, K, Barry, R, Borg, A, Orme, M, Mouilleron, S, Martinez-Torres, R.J, Meier, P, McDonald, N.Q.
Deposit date:2015-10-30
Release date:2016-12-28
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:RET Functions as a Dual-Specificity Kinase that Requires Allosteric Inputs from Juxtamembrane Elements.
Cell Rep, 17, 2016
3O03
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BU of 3o03 by Molmil
Quaternary complex structure of gluconate 5-dehydrogenase from streptococcus suis type 2
Descriptor: CALCIUM ION, D-gluconic acid, Dehydrogenase with different specificities, ...
Authors:Peng, H, Gao, F, Zhang, Q, Liu, Y, Gao, G.F.
Deposit date:2010-07-18
Release date:2010-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insight Into the Catalytic Mechanism of Gluconate 5-Dehydrogenase from Streptococcus Suis: Crystal Structures of the Substrate-Free and Quaternary Complex Enzymes.
Protein Sci., 18, 2009
1LX5
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BU of 1lx5 by Molmil
Crystal Structure of the BMP7/ActRII Extracellular Domain Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin Type II Receptor, alpha-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-4)][alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Greenwald, J, Groppe, J, Kwiatkowski, W, Choe, S.
Deposit date:2002-06-04
Release date:2003-04-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The BMP7/ActRII Extracellular Domain Complex Provides New Insights into the Cooperative Nature of Receptor Assembly
Mol.Cell, 11, 2003

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數據於2024-10-16公開中

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