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4HB5
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BU of 4hb5 by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR267.
分子名称: Engineered Protein
著者Vorobiev, S, Su, M, Parmeggiani, F, Seetharaman, J, Huang, P.-S, Maglaqui, M, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2012-09-27
公開日2012-10-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.294 Å)
主引用文献Computational design of self-assembling cyclic protein homo-oligomers.
NAT.CHEM., 9, 2017
4GSY
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BU of 4gsy by Molmil
Crystal structure of thymidylate kinase from Staphylococcus aureus bound to inhibitor.
分子名称: 4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]benzoic acid, Thymidylate kinase
著者Larsen, N.A, Olivier, N.B.
登録日2012-08-28
公開日2012-10-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of Selective and Potent Inhibitors of Gram-Positive Bacterial Thymidylate Kinase (TMK).
J.Med.Chem., 55, 2012
4GOS
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BU of 4gos by Molmil
Crystal structure of human B7-H4 IgV-like domain
分子名称: V-set domain-containing T-cell activation inhibitor 1, alpha-D-mannopyranose-(1-3)-[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
著者Vigdorovich, V, Ramagopal, U, Bhosle, R, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
登録日2012-08-20
公開日2012-09-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structure and cancer immunotherapy of the B7 family member B7x.
Cell Rep, 9, 2014
4GP8
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BU of 4gp8 by Molmil
Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133W+T231F from Thermus thermophilus
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ...
著者Li, Y, Chen, Y, Stout, C.D.
登録日2012-08-20
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ligand Access to the Active Site in Thermus thermophilusba(3) and Bovine Heart aa(3) Cytochrome Oxidases.
Biochemistry, 52, 2013
4GWK
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BU of 4gwk by Molmil
Crystal structure of 6-phosphogluconate dehydrogenase complexed with 3-phosphoglyceric acid
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-PHOSPHOGLYCERIC ACID, 6-phosphogluconate dehydrogenase, ...
著者He, C, Zhou, L, Zhang, L.
登録日2012-09-03
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.534 Å)
主引用文献Phosphoglycerate mutase 1 coordinates glycolysis and biosynthesis to promote tumor growth.
Cancer Cell, 22, 2012
4HEE
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BU of 4hee by Molmil
Crystal structure of PPARgamma in complex with compound 13
分子名称: 5-benzyl-2-ethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
著者Han, S.
登録日2012-10-03
公開日2013-08-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design, synthesis, and evaluation of imidazo[4,5-c]pyridin-4-one derivatives with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-gamma
Bioorg.Med.Chem.Lett., 23, 2013
4GSD
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BU of 4gsd by Molmil
H5.3 Fab Structure
分子名称: H5.3 Fab Heavy Chain, H5.3 Fab Light Chain
著者Spiller, B.W, Winarski, K.L.
登録日2012-08-27
公開日2013-08-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Human antibodies that neutralize respiratory droplet transmissible H5N1 influenza viruses.
J.Clin.Invest., 123, 2013
1O6D
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BU of 1o6d by Molmil
Crystal structure of a hypothetical protein
分子名称: Hypothetical UPF0247 protein TM0844
著者Structural GenomiX
登録日2003-11-03
公開日2003-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1NSI
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BU of 1nsi by Molmil
HUMAN INDUCIBLE NITRIC OXIDE SYNTHASE, ZN-BOUND, L-ARG COMPLEX
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, GLYCEROL, ...
著者Li, H, Raman, C.S, Glaser, C.B, Blasko, E, Young, T.A, Parkinson, J.F, Whitlow, M, Poulos, T.L.
登録日1999-01-10
公開日2000-01-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structures of zinc-free and -bound heme domain of human inducible nitric-oxide synthase. Implications for dimer stability and comparison with endothelial nitric-oxide synthase.
J.Biol.Chem., 274, 1999
4H8E
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BU of 4h8e by Molmil
Structure of S. aureus undecaprenyl diphosphate synthase in complex with FPP and sulfate
分子名称: FARNESYL DIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
著者Zhu, W, Oldfield, E.
登録日2012-09-22
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
1O69
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BU of 1o69 by Molmil
Crystal structure of a PLP-dependent enzyme
分子名称: (2-AMINO-4-FORMYL-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, BETA-MERCAPTOETHANOL, aminotransferase
著者Structural GenomiX
登録日2003-10-23
公開日2003-11-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
4JD8
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BU of 4jd8 by Molmil
Racemic-[Ru(phen)2(dppz)]2+] bound to synthetic DNA at high resolution
分子名称: DNA (5'-D(*AP*TP*GP*CP*AP*T)-3'), Delta-Ru(phen)2(dppz) complex, Lambda-Ru(phen)2(dppz) complex, ...
著者Cook, D.S, Hall, J.P, Cardin, C.J.
登録日2013-02-24
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献X-ray Crystal Structure of rac-[Ru(phen)2dppz](2+) with d(ATGCAT)2 Shows Enantiomer Orientations and Water Ordering.
J.Am.Chem.Soc., 135, 2013
1RMF
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BU of 1rmf by Molmil
STRUCTURES OF A MONOCLONAL ANTI-ICAM-1 ANTIBODY R6.5 FRAGMENT AT 2.8 ANGSTROMS RESOLUTION
分子名称: IGG2A-KAPPA R6.5 FAB (HEAVY CHAIN), IGG2A-KAPPA R6.5 FAB (LIGHT CHAIN)
著者Jedrzejas, M.J, Luo, M.
登録日1994-12-16
公開日1995-02-27
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of a monoclonal anti-ICAM-1 antibody R6.5 Fab fragment at 2.8 A resolution.
Acta Crystallogr.,Sect.D, 51, 1995
1PXU
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BU of 1pxu by Molmil
Crystal structure of chicken NtA from a eukaryotic source at 2.2A resolution
分子名称: agrin
著者Stetefeld, J.
登録日2003-07-07
公開日2004-06-29
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and laminin-binding specificity of the NtA domain expressed in eukaryotic cells.
Matrix Biol., 23, 2005
4H1M
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BU of 4h1m by Molmil
Crystal structure of PYK2 with the indole 10c
分子名称: 7-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)-N-(propan-2-yl)-1H-indole-2-carboxamide, Protein-tyrosine kinase 2-beta
著者Han, S.
登録日2012-09-10
公開日2012-11-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
1PNN
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BU of 1pnn by Molmil
PEPTIDE NUCLEIC ACID (PNA) COMPLEXED WITH DNA
分子名称: DNA (5'-D(GP*AP*AP*GP*AP*AP*GP*AP*G)-3'), PNA (NH2-P(*C*T*C*T*T*C*T*T*C-HIS-GLY-SER-SER-GLY-HIS-C*T*T*C*T*T*C*T*C)-COOH)
著者Betts, L, Veal, J.M.
登録日1995-10-13
公開日1996-03-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Nucleic Acid Triple Helix Formed by a Peptide Nucleic Acid-DNA Complex
Science, 270, 1995
4HEJ
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BU of 4hej by Molmil
Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate Kinase (TMK): Compund 16
分子名称: 5-methyl-1-[(3S)-1-{3-[3-(trifluoromethyl)phenoxy]benzyl}piperidin-3-yl]pyrimidine-2,4(1H,3H)-dione, Thymidylate kinase
著者Martinez-Botella, G, Breen, J, Duffy, J, Dumas, J, Geng, B, Gowers, I, Green, O, Guler, S, Hentemann, M, Hernandez-Juan, F, Joseph-McCarthy, D, Kawatkar, S, Larsen, N, Lazari, O, Loch, J, Macritchie, J.
登録日2012-10-03
公開日2012-10-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Selective and Potent Inhibitors of Gram-Positive Bacterial Thymidylate Kinase (TMK).
J.Med.Chem., 55, 2012
4H38
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BU of 4h38 by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1297
分子名称: (5-bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid, Undecaprenyl pyrophosphate synthase
著者Zhu, W, Oldfield, E.
登録日2012-09-13
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4K4A
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BU of 4k4a by Molmil
X-ray crystal structure of E. coli YdiI complexed with phenacyl-CoA
分子名称: Esterase YdiI, phenacyl coenzyme A
著者Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N.
登録日2013-04-12
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
4I31
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BU of 4i31 by Molmil
Crystal structure of HCV NS3/NS4A protease complexed with compound 4
分子名称: (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ...
著者Lemke, C.T.
登録日2012-11-23
公開日2013-01-02
最終更新日2013-03-13
実験手法X-RAY DIFFRACTION (1.9301 Å)
主引用文献Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance.
J.Biol.Chem., 288, 2013
456C
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BU of 456c by Molmil
CRYSTAL STRUCTURE OF COLLAGENASE-3 (MMP-13) COMPLEXED TO A DIPHENYL-ETHER SULPHONE BASED HYDROXAMIC ACID
分子名称: 2-{4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-TETRAHYDRO-PYRAN-4-YL}-N-HYDROXY-ACETAMIDE, CALCIUM ION, MMP-13, ...
著者Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F.
登録日1998-08-06
公開日1999-08-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors.
Nat.Struct.Biol., 6, 1999
4BGE
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BU of 4bge by Molmil
Crystal structure of InhA(S94A) mutant in complex with pyridomycin
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], Pyridomycin
著者Pojer, F, Hartkoorn, R.C, Cole, S.T.
登録日2013-03-26
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Pyridomycin bridges the NADH- and substrate-binding pockets of the enoyl reductase InhA.
Nat. Chem. Biol., 10, 2014
4I1F
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BU of 4i1f by Molmil
Structure of Parkin-S223P E3 ligase
分子名称: BARIUM ION, E3 ubiquitin-protein ligase parkin, ZINC ION
著者Lougheed, J.C, Brecht, E, Yao, N.H.
登録日2012-11-20
公開日2013-06-19
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structure and function of Parkin E3 ubiquitin ligase reveals aspects of RING and HECT ligases.
Nat Commun, 4, 2013
4I1H
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BU of 4i1h by Molmil
Structure of Parkin E3 ligase
分子名称: E3 ubiquitin-protein ligase parkin, ZINC ION
著者Lougheed, J.C, Brecht, E, Yao, N.H.
登録日2012-11-20
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and function of Parkin E3 ubiquitin ligase reveals aspects of RING and HECT ligases.
Nat Commun, 4, 2013
4IJG
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BU of 4ijg by Molmil
Crystal structure of monomeric bacteriophytochrome
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, DI(HYDROXYETHYL)ETHER, ...
著者Auldridge, M.E.
登録日2012-12-21
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Origins of fluorescence in evolved bacteriophytochromes.
J.Biol.Chem., 289, 2014

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