3HR1
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![BU of 3hr1 by Molmil](/molmil-images/mine/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
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3HUJ
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5OW4
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1QNU
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![BU of 1qnu by Molmil](/molmil-images/mine/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
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6K4J
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![BU of 6k4j by Molmil](/molmil-images/mine/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
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5R9U
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2D1T
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![BU of 2d1t by Molmil](/molmil-images/mine/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
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5R9H
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5R9Y
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1BEU
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![BU of 1beu by Molmil](/molmil-images/mine/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
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1QOH
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![BU of 1qoh by Molmil](/molmil-images/mine/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
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5R99
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7BVY
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7BVZ
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![BU of 7bvz by Molmil](/molmil-images/mine/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
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6JL2
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![BU of 6jl2 by Molmil](/molmil-images/mine/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
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3FY6
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![BU of 3fy6 by Molmil](/molmil-images/mine/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
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1R4F
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![BU of 1r4f by Molmil](/molmil-images/mine/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
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1YOU
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![BU of 1you by Molmil](/molmil-images/mine/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
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1TRY
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![BU of 1try by Molmil](/molmil-images/mine/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
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3HQY
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![BU of 3hqy by Molmil](/molmil-images/mine/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
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2FPB
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2FP8
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2FPC
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2FP9
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![BU of 2fp9 by Molmil](/molmil-images/mine/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
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2TRS
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![BU of 2trs by Molmil](/molmil-images/mine/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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