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3DWJ
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BU of 3dwj by Molmil
Heme-proximal W188H mutant of inducible nitric oxide synthase
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, AMMONIUM ION, Nitric oxide synthase, ...
Authors:Tejero, J, Biswas, A, Wang, Z.-Q, Haque, M.M, Hemann, C, Zweier, J.L, Page, R.C, Misra, S, Stuehr, D.J.
Deposit date:2008-07-22
Release date:2008-09-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Stabilization and Characterization of a Heme-Oxy Reaction Intermediate in Inducible Nitric-oxide Synthase
J.Biol.Chem., 283, 2008
3GOU
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BU of 3gou by Molmil
Crystal structure of dog (Canis familiaris) hemoglobin
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sundaresan, S.S, Ramesh, P, Thenmozhi, M, Ponnuswamy, M.N.
Deposit date:2009-03-20
Release date:2009-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of dog (Canis familiaris) hemoglobin
To be Published
3GSQ
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BU of 3gsq by Molmil
Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5S peptide variant
Descriptor: Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant M5S (NLVPSVATV), ...
Authors:Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D.
Deposit date:2009-03-27
Release date:2009-08-04
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
3GTG
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BU of 3gtg by Molmil
Backtracked RNA polymerase II complex with 12mer RNA
Descriptor: DNA (28-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D.
Deposit date:2009-03-27
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.78 Å)
Cite:Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
3GQR
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Crystal structure determination of cat (Felis silvestris catus) hemoglobin at 2.4 angstrom resolution
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta-A/B, PROTOPORPHYRIN IX CONTAINING FE
Authors:Balasubramanian, M, Sathya Moorthy, P, Neelagandan, K, Ponnuswamy, M.N.
Deposit date:2009-03-24
Release date:2010-03-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure determination of cat (Felis silvestris catus) hemoglobin at 2.4 angstrom resolution
To be Published
3GS7
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BU of 3gs7 by Molmil
Human transthyretin (TTR) complexed with (E)-3-(2-methoxybenzylideneaminooxy)propanoic acid (inhibitor 13)
Descriptor: 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid, Transthyretin
Authors:Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
Deposit date:2009-03-26
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
3GV4
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BU of 3gv4 by Molmil
Crystal structure of human HDAC6 zinc finger domain and ubiquitin C-terminal peptide RLRGG
Descriptor: CALCIUM ION, Histone deacetylase 6, ZINC ION, ...
Authors:Dong, A, Ravichandran, M, Loppnau, P, Li, Y, MacKenzie, F, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Dhe-Paganon, S, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2009-03-30
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structure of human HDAC6 zinc finger domain and ubiquitin C-terminal peptide RLRGG
To be Published
3GZ0
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BU of 3gz0 by Molmil
Apo-human carbonic anhydrase II revisited: Implications of the loss of a metal in protein structure, stability and solvent network
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Avvaru, B.S, McKenna, R.
Deposit date:2009-04-06
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Apo-Human Carbonic Anhydrase II Revisited: Implications of the Loss of a Metal in Protein Structure, Stability, and Solvent Network .
Biochemistry, 48, 2009
3H44
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BU of 3h44 by Molmil
Crystal Structure of Insulin Degrading Enzyme in Complex with macrophage inflammatory protein 1 alpha
Descriptor: 1,4-DIETHYLENE DIOXIDE, C-C motif chemokine 3, Insulin-degrading enzyme, ...
Authors:Ren, M, Guo, Q, Tang, W.J.
Deposit date:2009-04-17
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Macrophage Inflammatory Protein-1 Is A Novel High Affinity Substrate For Human Insulin Degrading Enzyme
To be Published
3HAJ
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BU of 3haj by Molmil
Crystal structure of human PACSIN2 F-BAR domain (p212121 lattice)
Descriptor: CALCIUM ION, human PACSIN2 F-BAR
Authors:Wang, Q, Navarro, M.V.A.S, Peng, G, Rajashankar, K.R, Sondermann, H.
Deposit date:2009-05-01
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Molecular mechanism of membrane constriction and tubulation mediated by the F-BAR protein Pacsin/Syndapin.
Proc.Natl.Acad.Sci.USA, 106, 2009
3HCA
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Crystal Structure of E185Q hPNMT in Complex With Octopamine and AdoHcy
Descriptor: 1,2-ETHANEDIOL, 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, Phenylethanolamine N-methyltransferase, ...
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-05-06
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity.
Biochem.J., 422, 2009
3H6A
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BU of 3h6a by Molmil
Structure of the Calx-beta domain of integrin beta4 crystallized in the presence of calcium
Descriptor: Integrin beta-4
Authors:Alonso-Garcia, N, Ingles-Prieto, A, de Pereda, J.M.
Deposit date:2009-04-23
Release date:2009-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.608 Å)
Cite:Structure of the Calx-beta domain of the integrin beta4 subunit: insights into function and cation-independent stability
Acta Crystallogr.,Sect.D, 65, 2009
3H6K
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BU of 3h6k by Molmil
Crystal Structure of Human 11-beta-hydroxysteroid-dehydrogenase Bound to an Ortho-chlro-sulfonyl-piperazine Inhibitor
Descriptor: 3-chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bard, J, Svenson, K.
Deposit date:2009-04-23
Release date:2009-12-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.187 Å)
Cite:Efficacious 11beta-hydroxysteroid dehydrogenase type I inhibitors in the diet-induced obesity mouse model.
J.Med.Chem., 52, 2009
3H7W
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BU of 3h7w by Molmil
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS017
Descriptor: 2-nitro-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Key, J.M, Scheuermann, T.H, Anderson, P.C, Daggett, V, Gardner, K.H.
Deposit date:2009-04-28
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Principles of ligand binding within a completely buried cavity in HIF2alpha PAS-B
J.Am.Chem.Soc., 131, 2009
3H82
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BU of 3h82 by Molmil
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS020
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)aniline
Authors:Key, J.M, Scheuermann, T.H, Anderson, P.C, Daggett, V, Gardner, K.H.
Deposit date:2009-04-28
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Principles of ligand binding within a completely buried cavity in HIF2alpha PAS-B
J.Am.Chem.Soc., 131, 2009
3EU0
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BU of 3eu0 by Molmil
Crystal structure of the S-nitrosylated Cys215 of PTP1B
Descriptor: Tyrosine-protein phosphatase non-receptor type 1
Authors:Chu, H.M, Wang, A.H.J, Chen, Y.Y, Pan, K.T, Wang, D.L, Khoo, K.H, Meng, T.C.
Deposit date:2008-10-09
Release date:2008-11-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cysteine S-Nitrosylation Protects Protein-tyrosine Phosphatase 1B against Oxidation-induced Permanent Inactivation
J.Biol.Chem., 283, 2008
3E50
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BU of 3e50 by Molmil
Crystal structure of human insulin degrading enzyme in complex with transforming growth factor-alpha
Descriptor: Insulin-degrading enzyme, Protransforming growth factor alpha, ZINC ION
Authors:Guo, Q, Manolopoulou, M, Tang, W.-J.
Deposit date:2008-08-12
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Basis for the Recognition and Cleavages of IGF-II, TGF-alpha, and Amylin by Human Insulin-Degrading Enzyme.
J.Mol.Biol., 395, 2010
3EB1
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BU of 3eb1 by Molmil
Crystal structure PTP1B complex with small molecule inhibitor LZP-25
Descriptor: 4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid, Tyrosine-protein phosphatase non-receptor type 1
Authors:Liu, S, Zheng, L.-F, Wu, L, Yu, X, Xue, T, Gunawan, A.M, Long, Y.-Q, Zhang, Z.-Y.
Deposit date:2008-08-26
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors.
J.Am.Chem.Soc., 130, 2008
3EAH
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BU of 3eah by Molmil
Structure of inhibited human eNOS oxygenase domain
Descriptor: (3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
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, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-25
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3EFI
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BU of 3efi by Molmil
Carbonic anhydrase activators: Kinetic and X-ray crystallographic study for the interaction of d- and l-tryptophan with the mammalian isoforms I-XIV
Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, TRYPTOPHAN, ...
Authors:Temperini, C, Innocenti, A, Scozzafava, A, Supuran, C.T.
Deposit date:2008-09-09
Release date:2008-09-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Carbonic anhydrase activators: kinetic and X-ray crystallographic study for the interaction of D- and L-tryptophan with the mammalian isoforms I-XIV
Bioorg.Med.Chem., 16, 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
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
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

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