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4IQL
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BU of 4iql by Molmil
Crystal Structure of Porphyromonas gingivalis Enoyl-ACP Reductase II (FabK) with cofactors NADPH and FMN
Descriptor: Enoyl-(Acyl-carrier-protein) reductase II, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Hevener, K.E, Santarsiero, B.D, Su, P.-C, Boci, T, Truong, K, Johnson, M.E, Mehboob, S.
Deposit date:2013-01-11
Release date:2014-01-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.938 Å)
Cite:Structural characterization of Porphyromonas gingivalis enoyl-ACP reductase II (FabK).
Acta Crystallogr F Struct Biol Commun, 74, 2018
4IM2
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BU of 4im2 by Molmil
Structure of Tank-Binding Kinase 1
Descriptor: CHLORIDE ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1
Authors:Tu, D, Eck, M.J.
Deposit date:2013-01-01
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5001 Å)
Cite:Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
4IM0
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BU of 4im0 by Molmil
Structure of Tank-Binding Kinase 1
Descriptor: N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase TBK1
Authors:Tu, D, Eck, M.J.
Deposit date:2013-01-01
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4001 Å)
Cite:Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
1O62
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BU of 1o62 by Molmil
Crystal structure of the apo form of a PLP-dependent enzyme
Descriptor: ACETATE ION, BETA-MERCAPTOETHANOL, aminotransferase
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project.
Proteins, 60, 2005
1O64
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BU of 1o64 by Molmil
Crystal structure of an ATP phosphoribosyltransferase
Descriptor: ATP phosphoribosyltransferase, PHOSPHATE ION
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1QHF
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BU of 1qhf by Molmil
YEAST PHOSPHOGLYCERATE MUTASE-3PG COMPLEX STRUCTURE TO 1.7 A
Descriptor: 3-PHOSPHOGLYCERIC ACID, PROTEIN (PHOSPHOGLYCERATE MUTASE), SULFATE ION
Authors:Crowhurst, G, Littlechild, J, Watson, H.C.
Deposit date:1999-05-13
Release date:1999-06-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of a phosphoglycerate mutase:3-phosphoglyceric acid complex at 1.7 A.
Acta Crystallogr.,Sect.D, 55, 1999
4JGA
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BU of 4jga by Molmil
X-ray crystal structure of 3-oxoacyl-[acyl-carrier-protein] synthase 2 from Rickettsia rickettsii
Descriptor: 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 2, POTASSIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-02-28
Release date:2013-05-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray crystal structure of 3-oxoacyl-[acyl-carrier-protein] synthase 2 from Rickettsia rickettsii
To be Published
1O61
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BU of 1o61 by Molmil
Crystal structure of a PLP-dependent enzyme with PLP
Descriptor: ACETATE ION, PYRIDOXAL-5'-PHOSPHATE, aminotransferase
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
4H2J
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BU of 4h2j by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1354
Descriptor: N~4~-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N~1~-[4-(1H-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-12
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H4M
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BU of 4h4m by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor
Descriptor: (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, 1,2-ETHANEDIOL, Reverse transcriptase/ribonuclease H, ...
Authors:Frey, K.M, Anderson, K.S.
Deposit date:2012-09-17
Release date:2012-12-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions for Drug Design.
J.Am.Chem.Soc., 134, 2012
1O68
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BU of 1o68 by Molmil
Crystal structure of 3-methyl-2-oxobutanoate hydroxymethyltransferase
Descriptor: 3-METHYL-2-OXOBUTANOIC ACID, 3-methyl-2-oxobutanoate hydroxymethyltransferase, SODIUM ION
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
453D
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BU of 453d by Molmil
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'-BENZIMIDAZOLE COMPLEX
Descriptor: 4-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZOLE-5-YL}-BENZIMIDAZOLE-2-YL-[4-HYDROXY-BENZENE], DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Neidle, S.
Deposit date:1999-02-18
Release date:2000-05-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Symmetric bis-benzimidazoles, a new class of sequence-selective DNA-binding molecules
J.Chem.Soc.,Chem.Commun., 1999
4A35
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BU of 4a35 by Molmil
Crystal structure of human Mitochondrial enolase superfamily member 1 (ENOSF1)
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, MITOCHONDRIAL ENOLASE SUPERFAMILY MEMBER 1
Authors:Muniz, J.R.C, Froese, D.S, Krojer, T, Vollmar, M, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Yue, W.W.
Deposit date:2011-09-30
Release date:2011-10-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Enzymatic and structural characterization of rTS gamma provides insights into the function of rTS beta.
Biochemistry, 53, 2014
1QLM
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BU of 1qlm by Molmil
The crystal structure of methenyltetrahydromethanopterin cyclohydrolase from the hyperthermophilic archaeon Methanopyrus kandleri
Descriptor: METHENYLTETRAHYDROMETHANOPTERIN CYCLOHYDROLASE, PHOSPHATE ION
Authors:Grabarse, W.
Deposit date:1999-09-01
Release date:1999-09-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of Methenyltetrahydromethano- Pterin Cyclohydrolase from the Hyperthermophilic Archaeon Methanopyrus Kandleri
Structure, 7, 1999
4H3A
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BU of 4h3a by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1330
Descriptor: (2Z)-2-hydroxy-4-[4-(octyloxy)phenyl]-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-13
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H2O
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BU of 4h2o by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1248
Descriptor: 2-{[3-(decyloxy)benzoyl]amino}-5-nitrobenzoic acid, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-13
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HDC
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BU of 4hdc by Molmil
Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate Kinase (TMK: Compound 41)
Descriptor: 2-(3-chlorophenoxy)-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid, Thymidylate kinase
Authors:Olivier, N.B.
Deposit date:2012-10-02
Release date:2012-10-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Selective and Potent Inhibitors of Gram-Positive Bacterial Thymidylate Kinase (TMK).
J.Med.Chem., 55, 2012
1OHR
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BU of 1ohr by Molmil
VIRACEPT (R) (NELFINAVIR MESYLATE, AG1343): A POTENT ORALLY BIOAVAILABLE INHIBITOR OF HIV-1 PROTEASE
Descriptor: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, ASPARTYLPROTEASE
Authors:Davies II, J.F.
Deposit date:1997-09-27
Release date:1998-12-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Viracept (nelfinavir mesylate, AG1343): a potent, orally bioavailable inhibitor of HIV-1 protease.
J.Med.Chem., 40, 1997
4JXE
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BU of 4jxe by Molmil
Crystal structure of Schizosaccharomyces pombe sst2 catalytic domain
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMSH-like protease sst2, ...
Authors:Shrestha, R.K, Das, C.
Deposit date:2013-03-28
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Insights into the Mechanism of Deubiquitination by JAMM Deubiquitinases from Cocrystal Structures of the Enzyme with the Substrate and Product.
Biochemistry, 53, 2014
4AGW
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BU of 4agw by Molmil
Discovery of a small molecule type II inhibitor of wild-type and gatekeeper mutants of BCR-ABL, PDGFRalpha, Kit, and Src kinases
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet hyl)phenyl}benzamide, GLYCEROL, ...
Authors:Weisberg, E, Choi, H.G, Seeliger, M, Gray, N, Griffin, J.D.
Deposit date:2012-02-01
Release date:2012-02-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of a Small-Molecule Type II Inhibitor of Wild-Type and Gatekeeper Mutants of Bcr-Abl, Pdgfralpha, Kit, and Src Kinases: Novel Type II Inhibitor of Gatekeeper Mutants.
Blood, 115, 2010
4JVP
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BU of 4jvp by Molmil
Three dimensional structure of broadly neutralizing anti - Hepatitis C virus (HCV) glycoprotein E2 alpaca nanobody D03
Descriptor: Anti-HCV E2 alpaca nanobody D03, SULFATE ION
Authors:Krey, T, Rey, F.A.
Deposit date:2013-03-26
Release date:2013-04-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:An alpaca nanobody inhibits hepatitis C virus entry and cell-to-cell transmission.
Hepatology, 58, 2013
4GWG
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BU of 4gwg by Molmil
Crystal Structure Analysis of 6-phosphogluconate dehydrogenase apo-form
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-phosphogluconate dehydrogenase, decarboxylating
Authors:He, C, Zhou, L, Zhang, L.
Deposit date:2012-09-03
Release date:2012-11-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3907 Å)
Cite:Phosphoglycerate mutase 1 coordinates glycolysis and biosynthesis to promote tumor growth.
Cancer Cell, 22, 2012
4H2M
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BU of 4h2m by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1408
Descriptor: 2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-12
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
1OKJ
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BU of 1okj by Molmil
crystal structure of the essential E. coli YeaZ protein by MAD method using the gadolinium complex "DOTMA"
Descriptor: GADOLINIUM ION, TRNA THREONYLCARBAMOYLADENOSINE BIOSYNTHESIS PROTEIN TSAB
Authors:Abergel, C, Jeudy, S, Claverie, J.M.
Deposit date:2003-07-26
Release date:2004-09-16
Last modified:2014-07-23
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:A Complement to the Modern Crystallographer'S Toolbox: Caged Gadolinium Complexes with Versatile Binding Modes.
Acta Crystallogr.,Sect.D, 70, 2014
4AVP
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BU of 4avp by Molmil
Crystal structure of the DNA-binding domain of human ETV1.
Descriptor: 1,2-ETHANEDIOL, ETS TRANSLOCATION VARIANT 1
Authors:Allerston, C.K, Cooper, C.D.O, Krojer, T, Chaikuad, A, Filippakopoulos, P, Canning, P, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Gileadi, O.
Deposit date:2012-05-28
Release date:2012-06-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation.
J.Biol.Chem., 290, 2015

225399

数据于2024-09-25公开中

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