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4YQU
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BU of 4yqu by Molmil
Glutathione S-transferase Omega 1 bound to covalent inhibitor C1-31
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase omega-1, N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide
Authors:Stuckey, J.A.
Deposit date:2015-03-13
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.
Nat Commun, 7, 2016
1MFZ
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BU of 1mfz by Molmil
Partially refined 2.8 A Crystal structure of GDP-mannose dehydrogenase from P. aeruginosa
Descriptor: GDP-mannose 6-dehydrogenase, GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), P'-D-MANNOPYRANOSYL ESTER
Authors:Snook, C.F, Tipton, P.A, Beamer, L.J.
Deposit date:2002-08-14
Release date:2003-05-06
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The crystal structure of GDP-mannose dehydrogenase: A key enzyme in alginate biosynthesis of P. aeruginosa
Biochemistry, 42, 2003
4YRN
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BU of 4yrn by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 6-bromopyridin-3-amine (Chem 475)
Descriptor: 1,2-ETHANEDIOL, 6-bromopyridin-3-amine, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
1MOY
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BU of 1moy by Molmil
Streptavidin Mutant with Osteopontin Hexapeptide Insertion Including RGD
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Streptavidin
Authors:Le Trong, I, McDevitt, T.C, Nelson, K.E, Stayton, P.S, Stenkamp, R.E.
Deposit date:2002-09-10
Release date:2003-05-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural characterization and comparison of RGD cell-adhesion recognition sites engineered into streptavidin.
Acta Crystallogr.,Sect.D, 59, 2003
1MH0
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BU of 1mh0 by Molmil
Crystal structure of the anticoagulant slow form of thrombin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin
Authors:Pineda, A.O, Savvides, S, Waksman, G, Di Cera, E.
Deposit date:2002-08-18
Release date:2002-11-08
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the anticoagulant slow form of thrombin
J.Biol.Chem., 277, 2002
4YR9
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BU of 4yr9 by Molmil
mouse TDH with NAD+ bound
Descriptor: GLYCEROL, L-threonine 3-dehydrogenase, mitochondrial, ...
Authors:He, C, Li, F.
Deposit date:2015-03-14
Release date:2016-02-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights on mouse l-threonine dehydrogenase: A regulatory role of Arg180 in catalysis
J.Struct.Biol., 192, 2015
4YS8
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BU of 4ys8 by Molmil
Crystal Structure of 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase (IspD) from Burkholderia thailandensis
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, ACETATE ION, GLYCEROL
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-03-16
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase (IspD) from Burkholderia thailandensis
to be published
1MP8
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BU of 1mp8 by Molmil
Crystal structure of Focal Adhesion Kinase (FAK)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, focal adhesion kinase 1
Authors:Nowakowski, J, Cronin, C.N, McRee, D.E, Knuth, M.W, Nelson, C.G, Pavletich, N.P, Rodgers, J, Sang, B.-C, Scheibe, D.N, Swanson, R.V, Thompson, D.A.
Deposit date:2002-09-11
Release date:2003-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of the cancer-related Aurora-A, FAK, and EphA2 protein kinases from nanovolume crystallography
Structure, 10, 2002
4YRT
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BU of 4yrt by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with N-(5-hydroxynaphthalen-2-yl)propanamide (Chem 1781)
Descriptor: 1,2-ETHANEDIOL, HISTIDINE, Histidyl-tRNA synthetase, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
1MHE
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BU of 1mhe by Molmil
THE HUMAN NON-CLASSICAL MAJOR HISTOCOMPATIBILITY COMPLEX MOLECULE HLA-E
Descriptor: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN HLA-E, PEPTIDE (VMAPRTVLL), ...
Authors:O'Callaghan, C.A, Tormo, J, Willcox, B.E, Braud, V.B, Jakobsen, B.K, Stuart, D.I, Mcmichael, A.J, Bell, J.I, Jones, E.Y.
Deposit date:1998-08-24
Release date:1999-03-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural features impose tight peptide binding specificity in the nonclassical MHC molecule HLA-E.
Mol.Cell, 1, 1998
4YSU
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BU of 4ysu by Molmil
Structure of copper nitrite reductase from Geobacillus thermodenitrificans - 25.0 MGy
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Nitrite reductase, ...
Authors:Fukuda, Y, Tse, K.M, Suzuki, M, Diederichs, K, Hirata, K, Nakane, T, Sugahara, M, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Matsumura, H, Inoue, T, Iwata, S, Mizohata, E.
Deposit date:2015-03-17
Release date:2016-02-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Redox-coupled structural changes in nitrite reductase revealed by serial femtosecond and microfocus crystallography
J.Biochem., 159, 2016
1MI1
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BU of 1mi1 by Molmil
Crystal Structure of the PH-BEACH Domain of Human Neurobeachin
Descriptor: Neurobeachin
Authors:Jogl, G, Shen, Y, Gebauer, D, Li, J, Wiegmann, K, Kashkar, H, Kroenke, M, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-08-21
Release date:2002-09-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the BEACH domain reveals an unusual fold and extensive association with a novel PH domain.
EMBO J., 21, 2002
4YT6
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BU of 4yt6 by Molmil
Factor VIIa in complex with the inhibitor 4-{[(R)-[5-ethoxy-2-fluoro-3-(propan-2-yloxy)phenyl](4-phenyl-1H-imidazol-2-yl)methyl]amino}benzenecarboximidamide
Descriptor: 4-[[(R)-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)-(4-phenyl-1H-imidazol-2-yl)methyl]amino]benzenecarboximidamide, CALCIUM ION, Coagulation factor VII (heavy chain), ...
Authors:Wei, A.
Deposit date:2015-03-17
Release date:2015-04-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Design and synthesis of potent, selective phenylimidazole-based FVIIa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
1MIQ
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BU of 1miq by Molmil
Crystal structure of proplasmepsin from the human malarial pathogen Plasmodium vivax
Descriptor: plasmepsin
Authors:Bernstein, N.K, Cherney, M.M, Yowell, C.A, Dame, J.B, James, M.N.
Deposit date:2002-08-23
Release date:2002-09-18
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the activation of P. vivax plasmepsin.
J.Mol.Biol., 329, 2003
4YS1
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BU of 4ys1 by Molmil
Human Aldose Reductase complexed with a ligand with an IDD structure (2) at 1.07 A.
Descriptor: 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2015-03-16
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Price for Opening the Transient Specificity Pocket in Human Aldose Reductase upon Ligand Binding: Structural, Thermodynamic, Kinetic, and Computational Analysis.
ACS Chem. Biol., 12, 2017
1MPR
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BU of 1mpr by Molmil
MALTOPORIN FROM SALMONELLA TYPHIMURIUM
Descriptor: CALCIUM ION, MALTOPORIN
Authors:Meyer, J.E.W, Schulz, G.E.
Deposit date:1996-12-18
Release date:1997-03-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of maltoporin from Salmonella typhimurium ligated with a nitrophenyl-maltotrioside.
J.Mol.Biol., 266, 1997
4YTB
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BU of 4ytb by Molmil
Crystal structure of Porphyromonas gingivalis peptidylarginine deiminase (PPAD) in complex with dipeptide Asp-Gln.
Descriptor: ASPARTIC ACID, AZIDE ION, CHLORIDE ION, ...
Authors:Goulas, T, Mizgalska, D, Garcia-Ferrer, I, Kantyka, T, Guevara, T, Szmigielski, B, Sroka, A, Millan, C, Uson, I, Veillard, F, Potempa, B, Mydel, P, Sola, M, Potempa, J, Gomis-Ruth, F.X.
Deposit date:2015-03-17
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure and mechanism of a bacterial host-protein citrullinating virulence factor, Porphyromonas gingivalis peptidylarginine deiminase.
Sci Rep, 5, 2015
1MJ9
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BU of 1mj9 by Molmil
Crystal structure of yeast Esa1(C304S) mutant complexed with Coenzyme A
Descriptor: COENZYME A, ESA1 PROTEIN, SODIUM ION
Authors:Yan, Y, Harper, S, Speicher, D, Marmorstein, R.
Deposit date:2002-08-27
Release date:2002-10-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The catalytic mechanism of the ESA1 histone acetyltransferase involves a self-acetylated intermediate.
Nat.Struct.Biol., 9, 2002
4YSH
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BU of 4ysh by Molmil
Crystal structure of glycine oxidase from Geobacillus kaustophilus
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, ...
Authors:Shiono, T, Nomura, T, Arai, R.
Deposit date:2015-03-17
Release date:2016-03-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of glycine oxidase from Geobacillus kaustophilus
to be published
1MQ8
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BU of 1mq8 by Molmil
Crystal structure of alphaL I domain in complex with ICAM-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin alpha-L, ...
Authors:Shimaoka, M, Xiao, T, Liu, J.-H, Yang, Y, Dong, Y, Jun, C.-D, McCormack, A, Zhang, R, Joachimiak, A, Takagi, J, Wang, J.-H, Springer, T.A.
Deposit date:2002-09-15
Release date:2003-01-14
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of the aL I domain and its complex with ICAM-1 reveal a shape-shifting pathway for integrin regulation
Cell(Cambridge,Mass.), 112, 2003
4YSZ
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BU of 4ysz by Molmil
Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with 2-iodo-N-[3-(1-methylethoxy)phenyl]benzamide
Descriptor: 2-iodo-N-[3-(1-methylethoxy)phenyl]benzamide, Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K.
Deposit date:2015-03-17
Release date:2015-08-05
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria
Int J Mol Sci, 16, 2015
1MJQ
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METHIONINE REPRESSOR MUTANT (Q44K) PLUS COREPRESSOR (S-ADENOSYL METHIONINE) COMPLEXED TO AN ALTERED MET CONSENSUS OPERATOR SEQUENCE
Descriptor: METHIONINE REPRESSOR, MUTATED MET CONSENSUS OPERATOR DUPLEX, S-ADENOSYLMETHIONINE
Authors:Garvie, C.W, Phillips, S.E.V.
Deposit date:1998-01-30
Release date:1999-08-02
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Direct and indirect readout in mutant Met repressor-operator complexes.
Structure Fold.Des., 8, 2000
4YTP
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BU of 4ytp by Molmil
CRYSTAL STRUCTURE OF PORCINE HEART MITOCHONDRIAL COMPLEX II BOUND WITH N-[(4-tert-butylphenyl)methyl]-2-(trifluoromethyl)benzamide
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K.
Deposit date:2015-03-18
Release date:2015-08-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria
Int J Mol Sci, 16, 2015
1LUG
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BU of 1lug by Molmil
Full Matrix Error Analysis of Carbonic Anhydrase
Descriptor: (4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER, Carbonic Anhydrase II, GLYCEROL, ...
Authors:Merritt, E.A, Le Trong, I, Behnke, C.A.
Deposit date:2002-05-22
Release date:2003-09-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Atomic resolution studies of carbonic anhydrase II.
Acta Crystallogr.,Sect.D, 66, 2010
4YU5
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BU of 4yu5 by Molmil
Crystal structure of selenomethionine variant of Bacillus anthracis immune inhibitor A2 peptidase zymogen
Descriptor: 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate, CALCIUM ION, GLYCEROL, ...
Authors:Arolas, J.L, Goulas, T, Gomis-Ruth, F.X.
Deposit date:2015-03-18
Release date:2015-10-28
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis for Latency and Function of Immune Inhibitor A Metallopeptidase, a Modulator of the Bacillus anthracis Secretome.
Structure, 24, 2016

224004

数据于2024-08-21公开中

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