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3EAY
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BU of 3eay by Molmil
Crystal structure of the human SENP7 catalytic domain
Descriptor: SULFATE ION, Sentrin-specific protease 7
Authors:Lima, C.D, Reverter, D.
Deposit date:2008-08-26
Release date:2008-09-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the Human SENP7 Catalytic Domain and Poly-SUMO Deconjugation Activities for SENP6 and SENP7.
J.Biol.Chem., 283, 2008
3EQT
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BU of 3eqt by Molmil
Crystal structure of human LGP2 C-terminal domain in complex with dsRNA
Descriptor: 5'-R(*GP*CP*GP*CP*GP*CP*GP*C)-3', ATP-dependent RNA helicase DHX58, ZINC ION
Authors:Li, P, Li, X.
Deposit date:2008-10-01
Release date:2009-03-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The RIG-I-like Receptor LGP2 Recognizes the Termini of Double-stranded RNA
J.Biol.Chem., 284, 2009
3ET0
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BU of 3et0 by Molmil
Structure of PPARgamma with 3-(5-Methoxy-1H-indol-3-yl)-propionic acid
Descriptor: 3-(5-methoxy-1H-indol-3-yl)propanoic acid, Peroxisome proliferator-activated receptor gamma, alpha-D-glucopyranose
Authors:Zhang, K.Y.J, Wang, W.
Deposit date:2008-10-06
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106, 2009
3EOA
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BU of 3eoa by Molmil
Crystal structure the Fab fragment of Efalizumab in complex with LFA-1 I domain, Form I
Descriptor: Efalizumab Fab fragment, heavy chain, light chain, ...
Authors:Li, S, Ding, J.
Deposit date:2008-09-26
Release date:2009-04-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Efalizumab binding to the LFA-1 alphaL I domain blocks ICAM-1 binding via steric hindrance.
Proc.Natl.Acad.Sci.USA, 106, 2009
3E3B
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BU of 3e3b by Molmil
Crystal structure of catalytic subunit of human protein kinase CK2alpha prime with a potent indazole-derivative inhibitor
Descriptor: Casein kinase II subunit alpha', [1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid
Authors:Kinoshita, T, Nakaniwa, T, Tada, T.
Deposit date:2008-08-07
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of human protein kinase CK2alpha2 with a potent indazole-derivative inhibitor
Acta Crystallogr.,Sect.F, 65, 2009
3EI3
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BU of 3ei3 by Molmil
Structure of the hsDDB1-drDDB2 complex
Descriptor: DNA damage-binding protein 1, DNA damage-binding protein 2, TETRAETHYLENE GLYCOL
Authors:Scrima, A, Thoma, N.H.
Deposit date:2008-09-15
Release date:2009-01-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of UV DNA-damage recognition by the DDB1-DDB2 complex.
Cell(Cambridge,Mass.), 135, 2008
3ET1
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BU of 3et1 by Molmil
Structure of PPARalpha with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid
Descriptor: 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid, Peroxisome proliferator-activated receptor alpha, Steroid receptor coactivator 1
Authors:Zhang, K.Y.J, Wang, W.
Deposit date:2008-10-06
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106, 2009
3E7G
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BU of 3e7g by Molmil
Structure of human INOSOX with inhibitor AR-C95791
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, Nitric oxide synthase, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-18
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3ESO
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BU of 3eso by Molmil
Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-2,5-dichlorobenzamide
Descriptor: 2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2008-10-06
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 52, 2009
3EWZ
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BU of 3ewz by Molmil
human orotidyl-5'-monophosphate decarboxylase in complex with 5-cyano-UMP
Descriptor: 5-CYANO-URIDINE-5'-MONOPHOSPHATE, Orotidine-5'-phosphate decarboxylase, SULFATE ION
Authors:Heinrich, D, Diederichsen, U, Rudolph, M.
Deposit date:2008-10-16
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3EY4
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BU of 3ey4 by Molmil
Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model
Descriptor: (5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one, 11-beta-Hydroxysteroid Dehydrogenase 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J.D, Jordan, S.R, Li, V.
Deposit date:2008-10-17
Release date:2008-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model
To be Published, 2008
3F1R
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BU of 3f1r by Molmil
Crystal structure of FGF20 dimer
Descriptor: Fibroblast growth factor 20, SULFATE ION
Authors:Kalinina, J, Mohammadi, M.
Deposit date:2008-10-28
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Homodimerization controls the fibroblast growth factor 9 subfamily's receptor binding and heparan sulfate-dependent diffusion in the extracellular matrix
Mol.Cell.Biol., 29, 2009
3F21
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BU of 3f21 by Molmil
Crystal structure of Zalpha in complex with d(CACGTG)
Descriptor: DNA (5'-D(*DTP*DCP*DAP*DCP*DGP*DTP*DG)-3'), Double-stranded RNA-specific adenosine deaminase
Authors:Ha, S.C, Choi, J, Kim, K.K.
Deposit date:2008-10-28
Release date:2008-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structures of non-CG-repeat Z-DNAs co-crystallized with the Z-DNA-binding domain, hZ{alpha}ADAR1
Nucleic Acids Res., 37, 2009
3F98
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BU of 3f98 by Molmil
Crystal structure of human plasma platelet activating factor acetylhydrolase covalently inhibited by tabun
Descriptor: FORMIC ACID, Platelet-activating factor acetylhydrolase, R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE
Authors:Samanta, U, Bahnson, B.J.
Deposit date:2008-11-13
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of human group-VIIA phospholipase A2 inhibited by organophosphorus nerve agents exhibit non-aged complexes.
Biochem Pharmacol, 78, 2009
3F7R
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BU of 3f7r by Molmil
First pair of Fibronectin type III domains and part of the connecting segment of the integrin beta4
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:de Pereda, J.M.
Deposit date:2008-11-10
Release date:2009-03-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.036 Å)
Cite:Structural basis of the interaction between integrin alpha6beta4 and plectin at the hemidesmosomes
Embo J., 28, 2009
3FAL
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BU of 3fal by Molmil
humanRXR alpha & mouse LXR alpha complexed with Retenoic acid and GSK2186
Descriptor: 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, Oxysterols receptor LXR-alpha, RETINOIC ACID, ...
Authors:Chao, E.Y, Caravella, J.A, Watson, M.A, Campobasso, N, Ghisletti, S, Billin, A.N, Galardi, C, Willson, T.M, Zuercher, W.J, Collins, J.L.
Deposit date:2008-11-17
Release date:2009-04-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity.
J.Med.Chem., 51, 2008
3FJK
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BU of 3fjk by Molmil
Crystal structure of A66C mutant of Human acidic fibroblast growth factor
Descriptor: FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION
Authors:Blaber, M, Lee, J.
Deposit date:2008-12-14
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis of conserved cysteine in the fibroblast growth factor family: evidence for a vestigial half-cystine.
J.Mol.Biol., 393, 2009
3EZR
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BU of 3ezr by Molmil
CDK-2 with indazole inhibitor 17 bound at its active site
Descriptor: 3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2
Authors:Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X.
Deposit date:2008-10-23
Release date:2009-02-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor
Bioorg.Med.Chem.Lett., 19, 2009
3F1P
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BU of 3f1p by Molmil
Crystal structure of a high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Scheuermann, T.H, Tomchick, D.R, Machius, M, Guo, Y, Bruick, R.K, Gardner, K.H.
Deposit date:2008-10-28
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Artificial ligand binding within the HIF2alpha PAS-B domain of the HIF2 transcription factor.
Proc.Natl.Acad.Sci.USA, 106, 2009
3FE1
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BU of 3fe1 by Molmil
Crystal structure of the human 70kDa heat shock protein 6 (Hsp70B') ATPase domain in complex with ADP and inorganic phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Heat shock 70 kDa protein 6, ...
Authors:Wisniewska, M, Lehtio, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wikstrom, M, Schueler, H, Structural Genomics Consortium (SGC)
Deposit date:2008-11-27
Release date:2008-12-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the ATPase domains of four human Hsp70 isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78
Plos One, 5, 2010
3FGH
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BU of 3fgh by Molmil
Human mitochondrial transcription factor A box B
Descriptor: CADMIUM ION, CHLORIDE ION, SODIUM ION, ...
Authors:Gangelhoff, T.A, Mungalachetty, P, Nix, J, Churchill, M.E.A.
Deposit date:2008-12-06
Release date:2009-04-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural analysis and DNA binding of the HMG domains of the human mitochondrial transcription factor A
Nucleic Acids Res., 37, 2009
3FPM
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Crystal Structure of a Squarate Inhibitor bound to MAPKAP Kinase-2
Descriptor: 3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione, MAP kinase-activated protein kinase 2
Authors:Parris, K.D.
Deposit date:2009-01-05
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Identification and SAR of squarate inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2)
Bioorg.Med.Chem., 17, 2009
3EXI
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BU of 3exi by Molmil
Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex with the subunit-binding domain (SBD) of E2p, but SBD cannot be modeled into the electron density
Descriptor: CHLORIDE ION, POTASSIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, ...
Authors:Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Machius, M, Li, J, Chuang, D.T.
Deposit date:2008-10-16
Release date:2008-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops.
Structure, 16, 2008
3EZV
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BU of 3ezv by Molmil
CDK-2 with indazole inhibitor 9 bound at its active site
Descriptor: 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2
Authors:Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X.
Deposit date:2008-10-23
Release date:2009-02-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor
Bioorg.Med.Chem.Lett., 19, 2009
3F1O
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Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains, with an internally-bound artificial ligand
Descriptor: 1,2-ETHANEDIOL, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, ...
Authors:Scheuermann, T.H, Tomchick, D.R, Machius, M, Guo, Y, Bruick, R.K, Gardner, K.H.
Deposit date:2008-10-28
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Artificial ligand binding within the HIF2alpha PAS-B domain of the HIF2 transcription factor.
Proc.Natl.Acad.Sci.USA, 106, 2009

223790

数据于2024-08-14公开中

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