2BQG
 
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3SYU
 | | Re-refined coordinates for pdb entry 1det - ribonuclease T1 carboxymethylated at GLU 58 in complex with 2'GMP | | Descriptor: | GUANOSINE-2'-MONOPHOSPHATE, Guanyl-specific ribonuclease T1, SODIUM ION, ... | | Authors: | Smart, O.S, Womack, T.O, Bricogne, G. | | Deposit date: | 2011-07-18 | | Release date: | 2012-03-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Exploiting structure similarity in refinement: automated NCS and target-structure restraints in BUSTER.
Acta Crystallogr.,Sect.D, 68, 2012
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2BQD
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2BQL
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1N5X
 | | Xanthine Dehydrogenase from Bovine Milk with Inhibitor TEI-6720 Bound | | Descriptor: | 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Okamoto, K, Eger, B.T, Nishino, T, Kondo, S, Pai, E.F, Nishino, T. | | Deposit date: | 2002-11-07 | | Release date: | 2003-03-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | An Extremely Potent Inhibitor of Xanthine Oxidoreductase: Crystal Structure of the Enzyme-Inhibitor Complex and Mechanism of Inhibition
J.BIOL.CHEM., 278, 2003
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1M25
 | | STRUCTURE OF SYNTHETIC 26-MER PEPTIDE CONTAINING 145-169 SHEEP PRION PROTEIN SEGMENT AND C-TERMINAL CYSTEINE IN TFE SOLUTION | | Descriptor: | MAJOR PRION PROTEIN | | Authors: | Megy, S, Bertho, G, Kozin, S.A, Coadou, G, Debey, P, Hoa, G.H, Girault, J.-P. | | Deposit date: | 2002-06-21 | | Release date: | 2002-07-17 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Possible role of region 152-156 in the structural duality of a peptide fragment from sheep prion protein
Protein Sci., 13, 2004
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1EAS
 | | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 3. DESIGN, SYNTHESIS, X-RAY CRYSTALLOGRAPHIC ANALYSIS, AND STRUCTURE-ACTIVITY RELATIONSHIPS FOR A SERIES OF ORALLY ACTIVE 3-AMINO-6-PHENYLPYRIDIN-2-ONE TRIFLUOROMETHYL KETONES | | Descriptor: | 3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | | Authors: | Ceccarelli, C. | | Deposit date: | 1994-11-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 3. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of orally active 3-amino-6-phenylpyridin-2-one trifluoromethyl ketones.
J.Med.Chem., 37, 1994
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1EAU
 | | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 6. DESIGN OF A POTENT, INTRATRACHEALLY ACTIVE, PYRIDONE-BASED TRIFLUOROMETHYL KETONE | | Descriptor: | 2-[5-AMINO-6-OXO-2-(2-THIENYL)-1,6-DIHYDROPYRIMIDIN-1-YL)-N-[3,3-DIFLUORO -1-ISOPROPYL-2-OXO-3-(N-(2-MORPHOLINO ETHYL)CARBAMOYL]PROPYL]ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | | Authors: | Ceccarelli, C. | | Deposit date: | 1994-11-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 6. Design of a potent, intratracheally active, pyridone-based trifluoromethyl ketone.
J.Med.Chem., 38, 1995
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1EAT
 | | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 5. DESIGN, SYNTHESIS, AND X-RAY CRYSTALLOGRAPHY OF A SERIES OF ORALLY ACTIVE 5-AMINO-PYRIMIDIN-6-ONE-CONTAINING TRIFLUOROMETHYLKETONES | | Descriptor: | 2-[5-METHANESULFONYLAMINO-2-(4-AMINOPHENYL)-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | | Authors: | Ceccarelli, C. | | Deposit date: | 1994-11-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 5. Design, synthesis, and X-ray crystallography of a series of orally active 5-aminopyrimidin-6-one-containing trifluoromethyl ketones.
J.Med.Chem., 38, 1995
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2NSQ
 | | Crystal structure of the C2 domain of the human E3 ubiquitin-protein ligase NEDD4-like protein | | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase NEDD4-like protein, GLYCEROL | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-11-06 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The C2 domain of the human E3 ubiquitin-protein ligase NEDD4-like protein
To be Published
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1C8I
 | | BINDING MODE OF HYDROXYLAMINE TO ARTHROMYCES RAMOSUS PEROXIDASE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HYDROXYAMINE, ... | | Authors: | Wariishi, H, Nonaka, D, Johjima, T, Nakamura, N, Naruta, Y, Kubo, K, Fukuyama, K. | | Deposit date: | 2000-05-08 | | Release date: | 2001-01-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Direct binding of hydroxylamine to the heme iron of Arthromyces ramosus peroxidase. Substrate analogue that inhibits compound I formation in a competetive manner.
J.Biol.Chem., 275, 2000
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1IQW
 | | CRYSTAL STRUCTURE OF THE FAB FRAGMENT OF THE MOUSE ANTI-HUMAN FAS ANTIBODY HFE7A | | Descriptor: | ANTIBODY M-HFE7A, HEAVY CHAIN, LIGHT CHAIN | | Authors: | Ito, S, Takayama, T, Hanzawa, H, Ichikawa, K, Ohsumi, J, Serizawa, N, Hata, T, Haruyama, H. | | Deposit date: | 2001-08-10 | | Release date: | 2002-01-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the antigen-binding fragment of apoptosis-inducing mouse anti-human Fas monoclonal antibody HFE7A.
J.Biochem., 131, 2002
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1L7H
 | | Crystal structure of R292K mutant influenza virus neuraminidase in complex with BCX-1812 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, ... | | Authors: | Smith, B.J, McKimm-Breshkin, J.L, McDonald, M, Fernley, R.T, Varghese, J.N, Colman, P.M. | | Deposit date: | 2002-03-15 | | Release date: | 2002-05-29 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural studies of the resistance of influenza virus neuramindase to inhibitors.
J.Med.Chem., 45, 2002
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1IDP
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1L7F
 | | Crystal structure of influenza virus neuraminidase in complex with BCX-1812 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, ... | | Authors: | Smith, B.J, McKimm-Breshkin, J.L, McDonald, M, Fernley, R.T, Varghese, J.N, Colman, P.M. | | Deposit date: | 2002-03-15 | | Release date: | 2002-05-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural studies of the resistance of influenza virus neuramindase to inhibitors.
J.Med.Chem., 45, 2002
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1KFA
 | | Crystal structure of Fab fragment complexed with gibberellin A4 | | Descriptor: | GIBBERELLIN A4, monoclonal antibody heavy chain, monoclonal antibody light chain | | Authors: | Murata, T, Fushinobu, S, Nakajima, M, Asami, O, Sassa, T, Wakagi, T, Yamaguchi, I. | | Deposit date: | 2001-11-20 | | Release date: | 2002-09-11 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the liganded anti-gibberellin A(4) antibody 4-B8(8)/E9 Fab fragment.
Biochem.Biophys.Res.Commun., 293, 2002
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1STC
 | | CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH STAUROSPORINE | | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE, PROTEIN KINASE INHIBITOR, STAUROSPORINE | | Authors: | Prade, L, Engh, R.A, Girod, A, Kinzel, V, Huber, R, Bossemeyer, D. | | Deposit date: | 1997-10-10 | | Release date: | 1998-02-25 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Staurosporine-induced conformational changes of cAMP-dependent protein kinase catalytic subunit explain inhibitory potential.
Structure, 5, 1997
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6JZW
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6JZV
 | | Crystal structure of SufU from Bacillus subtilis | | Descriptor: | ZINC ION, Zinc-dependent sulfurtransferase SufU | | Authors: | Fujishiro, T, Takahashi, Y. | | Deposit date: | 2019-05-04 | | Release date: | 2020-05-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cysteine-Persulfide Sulfane Sulfur-Ligated Zn Complex of Sulfur-Carrying SufU in the SufCDSUB System for Fe-S Cluster Biosynthesis.
Inorg.Chem., 2024
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2ZBG
 | | Calcium pump crystal structure with bound AlF4 and TG in the absence of calcium | | Descriptor: | MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ... | | Authors: | Toyoshima, C, Ogawa, H, Norimatsu, Y. | | Deposit date: | 2007-10-20 | | Release date: | 2007-12-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | How processing of aspartylphosphate is coupled to lumenal gating of the ion pathway in the calcium pump
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2ZBD
 | | Crystal Structure of the SR Calcium Pump with Bound Aluminium Fluoride, ADP and Calcium | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | | Authors: | Toyoshima, C, Nomura, H, Tsuda, T, Ogawa, H, Norimatsu, Y. | | Deposit date: | 2007-10-20 | | Release date: | 2007-11-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Lumenal gating mechanism revealed in calcium pump crystal structures with phosphate analogues
Nature, 432, 2004
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2ZBF
 | | Calcium pump crystal structure with bound BeF3 and TG in the absence of calcium | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ... | | Authors: | Toyoshima, C, Ogawa, H, Norimatsu, Y. | | Deposit date: | 2007-10-20 | | Release date: | 2007-12-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | How processing of aspartylphosphate is coupled to lumenal gating of the ion pathway in the calcium pump
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2ZBE
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1ELF
 | | NATURE OF THE INACTIVATION OF ELASTASE BY N-PEPTIDYL-O-AROYL HYDROXYLAMINE AS A FUNCTION OF PH | | Descriptor: | (TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO ETHYL-FORMAMIDE, CALCIUM ION, PORCINE PANCREATIC ELASTASE, ... | | Authors: | Ding, X, Rasmussen, B, Demuth, H.-U, Ringe, D, Steinmetz, A.C.U. | | Deposit date: | 1995-03-13 | | Release date: | 1995-07-10 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Nature of the inactivation of elastase by N-peptidyl-O-aroyl hydroxylamine as a function of pH.
Biochemistry, 34, 1995
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2DM9
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