PDB: 82203 resultsInfo pagesStatus searchChemie searchBIRD

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3HR1	Discovery of novel inhibitors of PDE10A Descriptor: 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline, MAGNESIUM ION, SULFATE ION, ... Authors: Pandit, J, Marr, E.S. Deposit date: 2009-06-08 Release date: 2009-08-04 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009
3HUJ	Crystal structure of human CD1d-alpha-Galactosylceramide in complex with semi-invariant NKT cell receptor Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, MAGNESIUM ION, ... Authors: Pang, S.S. Deposit date: 2009-06-14 Release date: 2009-07-28 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Differential recognition of CD1d-alpha-galactosyl ceramide by the V beta 8.2 and V beta 7 semi-invariant NKT T cell receptors Immunity, 31, 2009
5OW4	Crystal structure of a protease-resistant fragment of the Trypanosoma cruzi gamete fusion protein HAP2 ectodomain Descriptor: Uncharacterized protein Authors: Fedry, J, Rey, F.A, Krey, T. Deposit date: 2017-08-30 Release date: 2018-08-22 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Evolutionary diversification of the HAP2 membrane insertion motifs to drive gamete fusion across eukaryotes. PLoS Biol., 16, 2018
1QNU	Shiga-Like Toxin I B Subunit Complexed with the Bridged-Starfish Inhibitor Descriptor: ETHYL-CARBAMIC ACID METHYL ESTER, METHYL-CARBAMIC ACID ETHYL ESTER, Shiga toxin 1 variant B subunit, ... Authors: Pannu, N.S, Hayakawa, K, Read, R.J. Deposit date: 1999-10-21 Release date: 2000-04-11 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Shiga-like toxins are neutralized by tailored multivalent carbohydrate ligands. Nature, 403, 2000
6K4J	Crystal Structure of the the CD9 Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CD9 antigen, NICKEL (II) ION, ... Authors: Umeda, R, Nishizawa, T, Sato, K, Nureki, O. Deposit date: 2019-05-24 Release date: 2020-05-13 Method: X-RAY DIFFRACTION (2.701 Å) Cite: Structural insights into tetraspanin CD9 function. Nat Commun, 11, 2020
5R9U	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13475a in complex with MAP kinase p38-alpha Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 14, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.67 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
2D1T	Crystal structure of the thermostable Japanese Firefly Luciferase red-color emission S286N mutant complexed with High-energy intermediate analogue Descriptor: 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE, CHLORIDE ION, Luciferin 4-monooxygenase Authors: Nakatsu, T, Ichiyama, S, Hiratake, J, Saldanha, A, Kobashi, N, Sakata, K, Kato, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) Deposit date: 2005-08-31 Release date: 2006-03-21 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Structural basis for the spectral difference in luciferase bioluminescence. Nature, 440, 2006
5R9H	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment TCJ658 in complex with MAP kinase p38-alpha Descriptor: CHLORIDE ION, MAGNESIUM ION, Mitogen-activated protein kinase 14, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.49 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5R9Y	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13619a in complex with MAP kinase p38-alpha Descriptor: 3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
1BEU	TRP SYNTHASE (D60N-IPP-SER) WITH K+ Descriptor: INDOLE-3-PROPANOL PHOSPHATE, POTASSIUM ION, TRYPTOPHAN SYNTHASE, ... Authors: Rhee, S, Mozzarelli, A, Miles, E.W, Davies, D.R. Deposit date: 1998-05-18 Release date: 1998-08-12 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Cryocrystallography and microspectrophotometry of a mutant (alpha D60N) tryptophan synthase alpha 2 beta 2 complex reveals allosteric roles of alpha Asp60. Biochemistry, 37, 1998
1QOH	A MUTANT SHIGA-LIKE TOXIN IIE Descriptor: SHIGA-LIKE TOXIN IIE B SUBUNIT Authors: Pannu, N.S, Boodhoo, A, Armstrong, G.D, Clark, C.G, Brunton, J.L, Read, R.J. Deposit date: 1999-11-08 Release date: 2000-07-03 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.35 Å) Cite: A Mutant Shiga-Like Toxin Iie Bound to its Receptor Gb(3): Structure of a Group II Shiga-Like Toxin with Altered Binding Specificity Structure, 8, 2000
5R99	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13619a in complex with MAP kinase p38-alpha Descriptor: 1,2-ETHANEDIOL, 3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile, CHLORIDE ION, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
7BVY	Crystal structure of MreB 5 of Spiroplasma citri bound to AMPPNP Descriptor: Cell shape determining protein MreB, MAGNESIUM ION, PHOSPHATE ION, ... Authors: Pande, V, Gayathri, P. Deposit date: 2020-04-12 Release date: 2020-10-14 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.5 Å) Cite: MreB5 Is a Determinant of Rod-to-Helical Transition in the Cell-Wall-less Bacterium Spiroplasma. Curr.Biol., 30, 2020
7BVZ	Crystal structure of MreB5 of Spiroplasma citri bound to ADP Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell shape determining protein MreB, MAGNESIUM ION, ... Authors: Pande, V, Bagde, S.R, Gayathri, P. Deposit date: 2020-04-12 Release date: 2020-10-14 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.3 Å) Cite: MreB5 Is a Determinant of Rod-to-Helical Transition in the Cell-Wall-less Bacterium Spiroplasma. Curr.Biol., 30, 2020
6JL2	Crystal structure of VvPlpA G389N from Vibrio vulnificus Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, HEXAETHYLENE GLYCOL, Thermolabile hemolysin Authors: Ma, Q, Wan, Y, Liu, C. Deposit date: 2019-03-03 Release date: 2019-05-15 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural analysis of aVibriophospholipase reveals an unusual Ser-His-chloride catalytic triad. J.Biol.Chem., 294, 2019
3FY6	Structure from the mobile metagenome of V. Cholerae. Integron cassette protein VCH_CASS3 Descriptor: Integron cassette protein Authors: Deshpande, C.N, Sureshan, V, Harrop, S.J, Boucher, Y, Xu, X, Cui, H, Edwards, A, Savchenko, A, Joachimiak, A, Tan, K, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) Deposit date: 2009-01-21 Release date: 2009-02-10 Last modified: 2013-03-27 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Integron gene cassettes: a repository of novel protein folds with distinct interaction sites. Plos One, 8, 2013
1R4F	Inosine-Adenosine-Guanosine Preferring Nucleoside Hydrolase From Trypanosoma vivax: Trp260Ala Mutant In Complex With 3-Deaza-Adenosine Descriptor: 3-DEAZA-ADENOSINE, CALCIUM ION, IAG-nucleoside hydrolase Authors: Versees, W, Loverix, S, Vandemeulebroucke, A, Geerlings, P, Steyaert, J. Deposit date: 2003-10-06 Release date: 2004-04-13 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Leaving group activation by aromatic stacking: an alternative to general Acid catalysis. J.Mol.Biol., 338, 2004
1YOU	Crystal structure of the catalytic domain of MMP-13 complexed with a potent pyrimidinetrione inhibitor Descriptor: 5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE, CALCIUM ION, Collagenase 3, ... Authors: Pandit, J. Deposit date: 2005-01-28 Release date: 2005-03-15 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Potent pyrimidinetrione-based inhibitors of MMP-13 with enhanced selectivity over MMP-14. Bioorg.Med.Chem.Lett., 15, 2005
1TRY	STRUCTURE OF INHIBITED TRYPSIN FROM FUSARIUM OXYSPORUM AT 1.55 ANGSTROMS Descriptor: ISOPROPYL ALCOHOL, PHOSPHORYLISOPROPANE, TRYPSIN Authors: Rypniewski, W.R, Dambmann, C, Von Der Osten, C, Dauter, M, Wilson, K.S. Deposit date: 1994-03-07 Release date: 1996-01-01 Last modified: 2017-11-29 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Structure of inhibited trypsin from Fusarium oxysporum at 1.55 A. Acta Crystallogr.,Sect.D, 51, 1995
3HQY	Discovery of novel inhibitors of PDE10A Descriptor: 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline, MAGNESIUM ION, SULFATE ION, ... Authors: Pandit, J, Marr, E.S. Deposit date: 2009-06-08 Release date: 2009-08-04 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009
2FPB	Structure of Strictosidine Synthase, the Biosynthetic Entry to the Monoterpenoid Indole Alkaloid Family Descriptor: 2-(1H-INDOL-3-YL)ETHANAMINE, Strictosidine Synthase Authors: Panjikar, S. Deposit date: 2006-01-16 Release date: 2006-05-23 Last modified: 2021-11-10 Method: X-RAY DIFFRACTION (2.8 Å) Cite: The structure of Rauvolfia serpentina strictosidine synthase is a novel six-bladed beta-propeller fold in plant proteins Plant Cell, 18, 2006
2FP8	Structure of Strictosidine Synthase, the Biosynthetic Entry to the Monoterpenoid Indole Alkaloid Family Descriptor: Strictosidine synthase Authors: Panjikar, S. Deposit date: 2006-01-16 Release date: 2006-05-23 Last modified: 2017-10-18 Method: X-RAY DIFFRACTION (2.3 Å) Cite: The structure of Rauvolfia serpentina strictosidine synthase is a novel six-bladed beta-propeller fold in plant proteins Plant Cell, 18, 2006
2FPC	Structure of Strictosidine Synthase, the Biosynthetic Entry to the Monoterpenoid Indole Alkaloid Family Descriptor: Secologanin, Strictosidine synthase Authors: Panjikar, S. Deposit date: 2006-01-16 Release date: 2006-05-23 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (3 Å) Cite: The structure of Rauvolfia serpentina strictosidine synthase is a novel six-bladed beta-propeller fold in plant proteins Plant Cell, 18, 2006
2FP9	Crystal structure of Native Strictosidine Synthase Descriptor: L(+)-TARTARIC ACID, Strictosidine synthase Authors: Panjikar, S. Deposit date: 2006-01-16 Release date: 2006-05-23 Last modified: 2019-07-10 Method: X-RAY DIFFRACTION (2.96 Å) Cite: The structure of Rauvolfia serpentina strictosidine synthase is a novel six-bladed beta-propeller fold in plant proteins Plant Cell, 18, 2006
2TRS	CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES Descriptor: INDOLE-3-PROPANOL PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE, ... Authors: Rhee, S, Parris, K.D, Hyde, C.C, Ahmed, S.A, Miles, E.W, Davies, D.R. Deposit date: 1997-01-07 Release date: 1997-04-01 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.04 Å) Cite: Crystal structures of a mutant (betaK87T) tryptophan synthase alpha2beta2 complex with ligands bound to the active sites of the alpha- and beta-subunits reveal ligand-induced conformational changes. Biochemistry, 36, 1997

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