PDB: 37273 resultsInfo pagesStatus searchChemie searchBIRD

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3HI6	Crystal structure of intermediate affinity I domain of integrin LFA-1 with the Fab fragment of its antibody AL-57 Descriptor: Heavy chain of Fab fragment of AL-57 against alpha L I domain, Integrin alpha-L, MANGANESE (II) ION, ... Authors: Zhang, H, Wang, J. Deposit date: 2009-05-19 Release date: 2009-09-22 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural basis of activation-dependent binding of ligand-mimetic antibody AL-57 to integrin LFA-1. Proc.Natl.Acad.Sci.USA, 106, 2009
4JV4	Crystal Structure of RIalpha(91-379) bound to HE33, a N6 di-propyl substituted cAMP analog Descriptor: (2R,4aR,6R,7R,7aS)-6-[6-(dipropylamino)-9H-purin-9-yl]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide, cAMP-dependent protein kinase type I-alpha regulatory subunit Authors: Brown, S.H.J, Cheng, C.Y, Saldanha, A.S, Wu, J, Cottam, H, Sankaran, B, Taylor, S.S. Deposit date: 2013-03-25 Release date: 2013-09-18 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.952 Å) Cite: Implementing Fluorescence Anisotropy Screening and Crystallographic Analysis to Define PKA Isoform-Selective Activation by cAMP Analogs. Acs Chem.Biol., 8, 2013
3VRE	The crystal structure of hemoglobin from woolly mammoth in the deoxy form Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta/delta hybrid, PROTOPORPHYRIN IX CONTAINING FE Authors: Noguchi, H, Campbell, K.L, Ho, C, Park, S.-Y, Tame, J.R.H. Deposit date: 2012-04-09 Release date: 2012-11-07 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structures of haemoglobin from woolly mammoth in liganded and unliganded states. Acta Crystallogr.,Sect.D, 68, 2012
3VRG	The crystal structure of hemoglobin from woolly mammoth in the met form Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta/delta hybrid, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Noguchi, H, Campbell, K.L, Ho, C, Park, S.-Y, Tame, J.R.H. Deposit date: 2012-04-09 Release date: 2012-11-07 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structures of haemoglobin from woolly mammoth in liganded and unliganded states. Acta Crystallogr.,Sect.D, 68, 2012
4FJR	Mode of interaction of Merocyanine 540 with HEW Lysozyme Descriptor: 3-[(2E)-2-[(2Z)-4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl]propane-1-sulfonic acid, CHLORIDE ION, Lysozyme C Authors: Mitra, P, Banerjee, M, Basu, S, Biswas, S. Deposit date: 2012-06-12 Release date: 2013-07-03 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Mode of interaction of Merocyanine 540 dye with lysozyme To be Published
3HEP	Ferric Horse Heart Myoglobin; H64V Mutant, Nitrite Modified Descriptor: Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE Authors: Yi, J, Thomas, L.M, Richter-Addo, G.B. Deposit date: 2009-05-09 Release date: 2009-12-29 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.95 Å) Cite: The distal pocket histidine residue in horse heart myoglobin directs the o-binding mode of nitrite to the heme iron. J.Am.Chem.Soc., 131, 2009
4FON	High Energy Remote SAD structure solution of Proteinase K from the 37.8 keV Tellurium K edge Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, OXYGEN ATOM, ... Authors: Jakoncic, J. Deposit date: 2012-06-20 Release date: 2012-08-22 Method: X-RAY DIFFRACTION (1.05 Å) Cite: Macromolecular Crystallography at High(er) Energy To be Published
4J68	Crystal structure of Ribonuclease A soaked in 40% Isopropanol: One of twelve in MSCS set Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic, SULFATE ION Authors: Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C. Deposit date: 2013-02-11 Release date: 2014-01-22 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.779 Å) Cite: DRoP: A program for analysis of water structure on protein surfaces to be published
4J6C	The 1.9 A crystal structure of CYP154C5 from Nocardia farcinica in complex with progesterone Descriptor: Cytochrome P450 monooxygenase, FORMIC ACID, MAGNESIUM ION, ... Authors: Herzog, K, Hoffmann, K.M. Deposit date: 2013-02-11 Release date: 2014-03-05 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Enzyme-substrate complex structures of CYP154C5 shed light on its mode of highly selective steroid hydroxylation. Acta Crystallogr.,Sect.D, 70, 2014
3HG6	Crystal Structure of the Recombinant Onconase from Rana pipiens Descriptor: GLYCEROL, Onconase, SULFATE ION Authors: Camara-Artigas, A, Gavira, J.A, Casares-Atienza, S, Weininger, U, Balbach, J, Garcia-Mira, M.M. Deposit date: 2009-05-13 Release date: 2010-05-19 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Three-state thermal unfolding of onconase. Biophys.Chem., 159, 2011
3V9M	Phospholipase ACII4 from Australian King Brown Snake Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... Authors: Guddat, L.W, Millers, E.K. Deposit date: 2011-12-27 Release date: 2013-02-13 Method: X-RAY DIFFRACTION (1.563 Å) Cite: Mechanistic studies on the anticoagulant activity of a phospholipase A2 from the venom of the Australian King Brown Snake (Pseudechis australis) To be Published
4J9F	Crystal structure of the Abl-SH3 domain complexed with the high affinity peptide P0 Descriptor: GLYCEROL, P0, SULFATE ION, ... Authors: Camara-Artigas, A. Deposit date: 2013-02-16 Release date: 2014-01-29 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.094 Å) Cite: Crystal structure of the Abl-SH3 domain complexed with the high affinity peptide P0 To be Published
4J9I	Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P17 Descriptor: GLYCEROL, P17, Tyrosine-protein kinase ABL1 Authors: Camara-Artigas, A. Deposit date: 2013-02-16 Release date: 2014-01-29 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P17 To be Published
3VAL	Structure of U2AF65 variant with BrU5C1 DNA Descriptor: 1,4-DIETHYLENE DIOXIDE, DNA (5'-D(*C*UP*UP*UP*(BRU)P*UP*U)-3'), SULFATE ION, ... Authors: Jenkins, J.L, Frato, K.H, Kielkopf, C.L. Deposit date: 2011-12-29 Release date: 2013-02-13 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs. Nucleic Acids Res., 41, 2013
4JA4	Inward open conformation of the xylose transporter XylE from E. coli Descriptor: CADMIUM ION, D-xylose-proton symporter Authors: Quistgaard, E.M, Low, C, Moberg, P, Tresaugues, L, Nordlund, P. Deposit date: 2013-02-18 Release date: 2013-05-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (4.2 Å) Cite: Structural basis for substrate transport in the GLUT-homology family of monosaccharide transporters. Nat.Struct.Mol.Biol., 20, 2013
4FRJ	Crystal structure of BACE1 in complex with aminooxazoline xanthene 9l Descriptor: (4S)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... Authors: Whittington, D.A, Long, A.M. Deposit date: 2012-06-26 Release date: 2012-09-12 Last modified: 2012-12-12 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease. J.Med.Chem., 55, 2012
4FRS	Structure of BACE in complex with (S)-4-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium Descriptor: (2Z,6S)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1H)-one, Beta-secretase 1 Authors: Orth, P. Deposit date: 2012-06-26 Release date: 2012-08-08 Last modified: 2013-06-19 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor That Affords Robust CNS A(beta) Reduction ACS Med Chem Lett, 3, 2012
4JBT	The 2.2 A crystal structure of CYP154C5 from Nocardia farcinica in complex with androstenedione Descriptor: 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 monooxygenase, FORMIC ACID, ... Authors: Herzog, K, Hoffmann, K.M. Deposit date: 2013-02-20 Release date: 2014-03-05 Last modified: 2014-11-12 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Enzyme-substrate complex structures of CYP154C5 shed light on its mode of highly selective steroid hydroxylation. Acta Crystallogr.,Sect.D, 70, 2014
3VDJ	Crystal structure of circumsporozoite protein aTSR domain, R32 native form Descriptor: Circumsporozoite (CS) protein Authors: Doud, M.B, Koksal, A.C, Mi, L.Z, Song, G, Lu, C, Springer, T.A. Deposit date: 2012-01-05 Release date: 2012-05-09 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.698 Å) Cite: Unexpected fold in the circumsporozoite protein target of malaria vaccines. Proc.Natl.Acad.Sci.USA, 109, 2012
3VF5	Crystal Structure of HIV-1 Protease Mutant I47V with novel P1'-Ligands GRL-02031 Descriptor: (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, ACETATE ION, CHLORIDE ION, ... Authors: Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T. Deposit date: 2012-01-09 Release date: 2012-11-21 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring. J.Med.Chem., 55, 2012
4JEC	Joint neutron and X-ray structure of per-deuterated HIV-1 protease in complex with clinical inhibitor amprenavir Descriptor: CHLORIDE ION, HIV-1 protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER Authors: Kovalevsky, A.Y, Weber, I.T, Langan, P. Deposit date: 2013-02-26 Release date: 2013-07-24 Last modified: 2024-02-28 Method: NEUTRON DIFFRACTION (2.01 Å), X-RAY DIFFRACTION Cite: Joint X-ray/Neutron Crystallographic Study of HIV-1 Protease with Clinical Inhibitor Amprenavir: Insights for Drug Design. J.Med.Chem., 56, 2013
3VHB	IMIDAZOLE ADDUCT OF THE BACTERIAL HEMOGLOBIN FROM VITREOSCILLA SP. Descriptor: IMIDAZOLE, PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE Authors: Bolognesi, M, Boffi, A, Coletta, M, Mozzarelli, A, Pesce, A, Tarricone, C, Ascenzi, P. Deposit date: 1999-03-17 Release date: 1999-08-18 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Anticooperative ligand binding properties of recombinant ferric Vitreoscilla homodimeric hemoglobin: a thermodynamic, kinetic and X-ray crystallographic study. J.Mol.Biol., 291, 1999
4JK6	Human urokinase-type Plasminogen Activator (uPA) in complex with a bicyclic peptide inhibitor (UK18-D-Aba) Descriptor: 1,3,5-tris(bromomethyl)benzene, CHLORIDE ION, HEXAETHYLENE GLYCOL, ... Authors: Buth, S.A, Leiman, P.G, Chen, S, Heinis, C. Deposit date: 2013-03-09 Release date: 2013-07-17 Last modified: 2024-07-10 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Improving binding affinity and stability of Peptide ligands by substituting glycines with d-amino acids. Chembiochem, 14, 2013
3HZC	Crystal structure of a chemically synthesized 203 amino acid 'covalent dimer' [Gly51;Aib51']HIV-1 protease molecule complexed with MVT-101 reduced isostere inhibitor Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [Gly51;Aib51'] 'covalent dimer' HIV-1 protease Authors: Torbeev, V.Y, Kent, S.B.H. Deposit date: 2009-06-23 Release date: 2011-04-27 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Hydrogen bonds at the protein-inhibitor interface in the HIV-1 protease / inhibitors complexes probed by total chemical synthesis and X-ray crystallography To be Published
3VWW	Crystal structure of a0-domain of P5 from H. sapiens Descriptor: PHOSPHATE ION, Protein disulfide-isomerase A6 Authors: Inaba, K, Suzuki, M. Deposit date: 2012-09-03 Release date: 2013-09-04 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Synergistic cooperation of PDI family members in peroxiredoxin 4-driven oxidative protein folding Sci Rep, 3, 2013

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