4GE9
 
 | | Kynurenine Aminotransferase II Inhibitors | | Descriptor: | (4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | | Authors: | Pandit, J. | | Deposit date: | 2012-08-01 | | Release date: | 2012-11-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions.
ACS Med Chem Lett, 4, 2013
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4BU8
 | | Crystal structure of human tankyrase 2 in complex with 4-(4-oxo-1,4- dihydroquinazolin-2-yl)benzonitrile | | Descriptor: | 4-(4-OXO-1,4-DIHYDROQUINAZOLIN-2-YL)BENZONITRILE, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-06-20 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
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1SM3
 | | CRYSTAL STRUCTURE OF THE TUMOR SPECIFIC ANTIBODY SM3 COMPLEX WITH ITS PEPTIDE EPITOPE | | Descriptor: | CADMIUM ION, CHLORIDE ION, PEPTIDE EPITOPE, ... | | Authors: | Dokurno, P, Bates, P.A, Band, H.A, Stewart, L.M.D, Lally, J.M, Burchell, J.M, Taylor-Papadimitriou, J, Sternberg, M.J.E, Snary, D, Freemont, P.S. | | Deposit date: | 1997-12-23 | | Release date: | 1999-03-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure at 1.95 A resolution of the breast tumour-specific antibody SM3 complexed with its peptide epitope reveals novel hypervariable loop recognition.
J.Mol.Biol., 284, 1998
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1IQG
 | | Human coagulation factor Xa in complex with M55159 | | Descriptor: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa | | Authors: | Shiromizu, I, Matsusue, T. | | Deposit date: | 2001-07-23 | | Release date: | 2003-09-23 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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1TW3
 | | Crystal structure of Carminomycin-4-O-methyltransferase (DnrK) in complex with S-adenosyl-L-homocystein (SAH) and 4-methoxy-e-rhodomycin T (M-ET) | | Descriptor: | Carminomycin 4-O-methyltransferase, METHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-4-{[2,3,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H-TETRACENE-1-CARBOXYLATE, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Jansson, A, Koskiniemi, H, Mantsala, P, Niemi, J, Schneider, G. | | Deposit date: | 2004-06-30 | | Release date: | 2004-09-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of a ternary complex of DnrK, a methyltransferase in daunorubicin biosynthesis, with bound products
J.Biol.Chem., 279, 2004
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1IQN
 | | Human coagulation factor Xa in complex with M55192 | | Descriptor: | 4-[[4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINYL]CARBONYL]MORPHOLINE, CALCIUM ION, coagulation Factor Xa | | Authors: | Shiromizu, I, Matsusue, T. | | Deposit date: | 2001-07-23 | | Release date: | 2003-09-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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4C6V
 | | Crystal structure of M. tuberculosis KasA in complex with TLM5 (Soak for 5 min) | | Descriptor: | (5R)-3-acetyl-4-hydroxy-5-methyl-5-[(1Z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one, 1,2-ETHANEDIOL, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, ... | | Authors: | Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-09-19 | | Release date: | 2013-10-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
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4C9W
 | | Crystal structure of NUDT1 (MTH1) with R-crizotinib | | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, CHLORIDE ION, ... | | Authors: | Elkins, J.M, Salah, E, Huber, K, Superti-Furga, G, Abdul Azeez, K.R, Raynor, J, Krojer, T, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | | Deposit date: | 2013-10-03 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy.
Nature, 508, 2014
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4C9Z
 | | Crystal structure of Siah1 at 1.95 A resolution | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE SIAH1, ... | | Authors: | Rimsa, V, Eadsforth, T.C, Hunter, W.N. | | Deposit date: | 2013-10-04 | | Release date: | 2013-10-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Two High-Resolution Structures of the Human E3 Ubiquitin Ligase Siah1.
Acta Crystallogr.,Sect.F, 96, 2013
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2GPH
 | | Docking motif interactions in the MAP kinase ERK2 | | Descriptor: | Mitogen-activated protein kinase 1, Tyrosine-protein phosphatase non-receptor type 7 | | Authors: | Zhou, T, Sun, L, Humphreys, J, Goldsmith, E.J. | | Deposit date: | 2006-04-17 | | Release date: | 2006-07-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Docking Interactions Induce Exposure of Activation Loop in the MAP Kinase ERK2.
Structure, 14, 2006
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1P18
 | | Hypoxanthine Phosphoribosyltransferase from Trypanosoma cruzi, K68R mutant, ternary substrates complex | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE, MAGNESIUM ION, ... | | Authors: | Canyuk, B, Eakin, A.E, Craig III, S.P. | | Deposit date: | 2003-04-11 | | Release date: | 2004-05-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Interactions at the dimer interface influence the relative efficiencies for purine nucleotide synthesis and pyrophosphorolysis in a phosphoribosyltransferase
J.Mol.Biol., 335, 2004
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4I4P
 | | BEL beta-trefoil apo crystal form 2 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BEL-beta trefoil | | Authors: | Bovi, M, Cenci, L, Perduca, M, Capaldi, S, Carrizo, M.E, Civiero, L, Chiarelli, L.R, Galliano, M, Monaco, H.L. | | Deposit date: | 2012-11-28 | | Release date: | 2013-04-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.279 Å) | | Cite: | BEL {beta}-trefoil: A novel lectin with antineoplastic properties in king bolete (Boletus edulis) mushrooms.
Glycobiology, 23, 2013
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6M5H
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2CCL
 | | THE S45A, T46A MUTANT OF THE TYPE I COHESIN-DOCKERIN COMPLEX FROM THE CELLULOSOME OF CLOSTRIDIUM THERMOCELLUM | | Descriptor: | CALCIUM ION, CELLULOSOMAL SCAFFOLDING PROTEIN A, ENDO-1,4-BETA-XYLANASE Y, ... | | Authors: | Carvalho, A.L, Dias, F.M.V, Prates, J.A.M, Ferreira, L.M.A, Gilbert, H.J, Davies, G.J, Romao, M.J, Fontes, C.M.G.A. | | Deposit date: | 2006-01-16 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Evidence for a Dual Binding Mode of Dockerin Modules to Cohesins.
Proc.Natl.Acad.Sci.USA, 104, 2007
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4BUD
 | | Crystal structure of human tankyrase 2 in complex with 2-(4-tert- butylphenyl)-1,4-dihydroquinazolin-4-one | | Descriptor: | 2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-06-20 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
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1XWV
 | | Structure of the house dust mite allergen Der f 2: Implications for function and molecular basis of IgE cross-reactivity | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Der f II | | Authors: | Johannessen, B.R, Skov, L.K, Kastrup, J.S, Kristensen, O, Bolwig, C, Larsen, J.N, Spangfort, M, Lund, K, Gajhede, M. | | Deposit date: | 2004-11-02 | | Release date: | 2004-12-14 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure of the house dust mite allergen Der f 2: implications for function and molecular basis of IgE cross-reactivity.
Febs Lett., 579, 2005
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1S9V
 | | Crystal structure of HLA-DQ2 complexed with deamidated gliadin peptide | | Descriptor: | 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DQ(1) beta chain, ... | | Authors: | Kim, C.-Y, Quarsten, H, Bergseng, E, Khosla, C, Sollid, L.M. | | Deposit date: | 2004-02-05 | | Release date: | 2004-03-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structural basis for HLA-DQ2-mediated presentation of gluten epitopes in celiac disease
Proc.Natl.Acad.Sci.USA, 101, 2004
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3NUC
 | | STAPHLOCOCCAL NUCLEASE, 1-N-PROPANE THIOL DISULFIDE TO V23C VARIANT | | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | | Authors: | Wynn, R, Harkins, P.C, Richards, F.M, Fox, R.O. | | Deposit date: | 1997-12-06 | | Release date: | 1998-03-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mobile unnatural amino acid side chains in the core of staphylococcal nuclease.
Protein Sci., 5, 1996
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2ZIM
 | | Pyrrolysyl-tRNA synthetase bound to adenylated pyrrolysine and pyrophosphate | | Descriptor: | (2R)-2-AMINO-6-({[(2S,3R)-3-METHYLPYRROLIDIN-2-YL]CARBONYL}AMINO)HEXANOYL [(2S,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL HYDROGEN (R)-PHOSPHATE, 1,2-ETHANEDIOL, PYROPHOSPHATE 2-, ... | | Authors: | Steitz, T.A, Kavran, J.M. | | Deposit date: | 2008-02-19 | | Release date: | 2008-03-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of pyrrolysyl-tRNA synthetase, an archaeal enzyme for genetic code innovation.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2CA2
 | | CRYSTALLOGRAPHIC STUDIES OF INHIBITOR BINDING SITES IN HUMAN CARBONIC ANHYDRASE II. A PENTACOORDINATED BINDING OF THE SCN-ION TO THE ZINC AT HIGH P*H | | Descriptor: | CARBONIC ANHYDRASE II, MERCURY (II) ION, THIOCYANATE ION, ... | | Authors: | Eriksson, A.E, Kylsten, P.M, Jones, T.A, Liljas, A. | | Deposit date: | 1989-02-06 | | Release date: | 1990-01-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic studies of inhibitor binding sites in human carbonic anhydrase II: a pentacoordinated binding of the SCN- ion to the zinc at high pH.
Proteins, 4, 1988
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3OKE
 | | Crystal structure of S25-39 in complex with Ko | | Descriptor: | S25-39 Fab (IgG1k) heavy chain, S25-39 Fab (IgG1k) light chain, ZINC ION, ... | | Authors: | Blackler, R.J, Evans, S.V. | | Deposit date: | 2010-08-24 | | Release date: | 2011-04-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Common NH53K Mutation in the Combining Site of Antibodies Raised against Chlamydial LPS Glycoconjugates Significantly Increases Avidity.
Biochemistry, 50, 2011
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1SVD
 | | The structure of Halothiobacillus neapolitanus RuBisCo | | Descriptor: | GLYCEROL, Ribulose bisphosphate carboxylase small chain, SULFATE ION, ... | | Authors: | Kerfeld, C.A, Sawaya, M.R, Pashkov, I, Cannon, G, Williams, E, Tran, K, Yeates, T.O. | | Deposit date: | 2004-03-29 | | Release date: | 2005-04-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structure of Halothiobacillus neapolitanus RuBisCo
To be Published
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2HAR
 | | Crystal structure of VDR LBD in complex with 2 alpha-(3-hydroxy-1-propoxy) calcitriol | | Descriptor: | 2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor | | Authors: | Hourai, S, Rochel, N, Moras, D. | | Deposit date: | 2006-06-13 | | Release date: | 2006-08-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006
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1XKI
 | | Crystal structure of human tear lipocalin/von Ebners gland protein | | Descriptor: | CHLORIDE ION, Von Ebner's gland protein, ZINC ION | | Authors: | Breustedt, D.A, Korndoerfer, I.P, Redl, B, Skerra, A. | | Deposit date: | 2004-09-29 | | Release date: | 2004-10-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The 1.8-A crystal structure of human tear lipocalin reveals an extended branched cavity with capacity for multiple ligands
J.Biol.Chem., 280, 2005
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1DZA
 | | 3-D structure of a HP-RNase | | Descriptor: | RIBONUCLEASE 1 | | Authors: | Pous, J, Canals, A, Terzyan, S.S, Guasch, A, Benito, A, Ribo, M, Vilanova, M, Coll, M. | | Deposit date: | 2000-02-21 | | Release date: | 2001-02-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Three-Dimensional Structure of a Human Pancreatic Ribonuclease Variant, a Step Forward in the Design of Cytotoxic Ribonucleases
J.Mol.Biol., 303, 2000
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