6HV0
| IRE1 kinase/RNase in complex with imidazo[1,2-b]pyridazin-8-amine compound 33 | Descriptor: | 6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Bayliss, R, Bhatia, C, Collins, I. | Deposit date: | 2018-10-09 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease. J.Med.Chem., 62, 2019
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1UTT
| Crystal Structure of MMP-12 complexed to 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl-4-(4-ethoxy[1,1-biphenyl]-4-yl)-4-oxobutanoic acid | Descriptor: | 2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL) ETHYL-4-(4'-ETHOXY [1,1'-BIPHENYL]-4-YL)-4-OXOBUTANOIC ACID, ACETOHYDROXAMIC ACID, CALCIUM ION, ... | Authors: | Morales, R, Perrier, S, Florent, J.M, Beltra, J, Dufour, S, De Mendez, I, Manceau, P, Tertre, A, Moreau, F, Compere, D, Dublanchet, A.C, O'Gara, M. | Deposit date: | 2003-12-10 | Release date: | 2004-12-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of novel non-peptidic, non-zinc chelating inhibitors bound to MMP-12. J. Mol. Biol., 341, 2004
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1UTZ
| Crystal Structure of MMP-12 complexed to (2R)-3-({[4-[(pyridin-4-yl)phenyl]-thien-2-yl}carboxamido)(phenyl)propanoic acid | Descriptor: | (2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID, ACETOHYDROXAMIC ACID, CALCIUM ION, ... | Authors: | Morales, R, Perrier, S, Florent, J.M, Beltra, J, Dufour, S, De Mendez, I, Manceau, P, Tertre, A, Moreau, F, Compere, D, Dublanchet, A.C, O'Gara, M. | Deposit date: | 2003-12-12 | Release date: | 2004-12-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structures of Novel Non-Peptidic, Non-Zinc Chelating Inhibitors Bound to Mmp-12 J.Mol.Biol., 341, 2004
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1GX7
| Best model of the electron transfer complex between cytochrome c3 and [Fe]-hydrogenase | Descriptor: | 1,3-PROPANEDITHIOL, CARBON MONOXIDE, CYANIDE ION, ... | Authors: | Elantak, L, Morelli, X, Bornet, O, Hatchikian, C, Czjzek, M, Dolla, A, Guerlesquin, F. | Deposit date: | 2002-03-28 | Release date: | 2003-07-31 | Last modified: | 2019-11-27 | Method: | SOLUTION NMR, THEORETICAL MODEL | Cite: | The Cytochrome C(3)-[Fe]-Hydrogenase Electron-Transfer Complex: Structural Model by NMR Restrained Docking FEBS Lett., 548, 2003
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6HKB
| Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 3 | Descriptor: | (1~{R},2~{S})-2-[methyl-[(~{R})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol, 14-3-3 protein sigma, Estrogen receptor, ... | Authors: | Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C. | Deposit date: | 2018-09-06 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers. J. Am. Chem. Soc., 141, 2019
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1QUG
| E108V MUTANT OF T4 LYSOZYME | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, PROTEIN (LYSOZYME) | Authors: | Wray, J, Baase, W.A, Lindstrom, J.D, Poteete, A.R, Matthews, B.W. | Deposit date: | 1999-07-01 | Release date: | 1999-07-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of a non-contiguous second-site revertant in T4 lysozyme shows that increasing the rigidity of a protein can enhance its stability. J.Mol.Biol., 292, 1999
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3RDJ
| Rat PKC C2 domain Apo | Descriptor: | Protein kinase C alpha type | Authors: | Li, P. | Deposit date: | 2011-04-01 | Release date: | 2011-09-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Pb2+ as modulator of protein-membrane interactions. J.Am.Chem.Soc., 133, 2011
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8JOI
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1LRO
| Aquifex aeolicus KDO8P synthase H185G mutant in complex with PEP and Cadmium | Descriptor: | CADMIUM ION, KDO-8-phosphate synthetase, PHOSPHATE ION, ... | Authors: | Wang, J, Duewel, H.S, Stuckey, J.A, Woodard, R.W, Gatti, D.L. | Deposit date: | 2002-05-15 | Release date: | 2002-11-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Function of His185 in Aquifex aeolicus 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase J.Mol.Biol., 324, 2002
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1O1A
| MOLECULAR MODELS OF AVERAGED RIGOR CROSSBRIDGES FROM TOMOGRAMS OF INSECT FLIGHT MUSCLE | Descriptor: | SKELETAL MUSCLE ACTIN, SKELETAL MUSCLE MYOSIN II, SKELETAL MUSCLE MYOSIN II ESSENTIAL LIGHT CHAIN, ... | Authors: | Chen, L.F, Winkler, H, Reedy, M.K, Reedy, M.C, Taylor, K.A. | Deposit date: | 2002-11-18 | Release date: | 2002-12-04 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (70 Å) | Cite: | Molecular Modeling of Averaged Rigor Crossbridges from Tomograms of Insect Flight Muscle J.Struct.Biol., 138, 2002
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4L4C
| Structure of L358P/K178G mutant of P450cam bound to camphor | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Batabyal, D, Li, H, Poulos, T.L. | Deposit date: | 2013-06-07 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
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1LAP
| MOLECULAR STRUCTURE OF LEUCINE AMINOPEPTIDASE AT 2.7-ANGSTROMS RESOLUTION | Descriptor: | Cytosol aminopeptidase, ZINC ION | Authors: | Burley, S.K, David, P.R, Taylor, A, Lipscomb, W.N. | Deposit date: | 1990-08-01 | Release date: | 1991-10-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular structure of leucine aminopeptidase at 2.7-A resolution. Proc.Natl.Acad.Sci.USA, 87, 1990
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4L4D
| Structure of cyanide and camphor bound P450cam mutant L358A | Descriptor: | CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ... | Authors: | Batabyal, D, Li, H, Poulos, T.L. | Deposit date: | 2013-06-07 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
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6I10
| CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 2 | Descriptor: | 1,2-ETHANEDIOL, 1-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one, ACETATE ION, ... | Authors: | Schuettelkopf, A.W. | Deposit date: | 2018-10-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg.Med.Chem.Lett., 29, 2019
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4LHO
| Crystal Structure of FG41Malonate Semialdehyde Decarboxylase inhibited by 3-bromopropiolate | Descriptor: | 3-chloro-3-oxopropanoic acid, FG41 Malonate Semialdehyde Decarboxylase, PHOSPHATE ION | Authors: | Guo, Y, Serrano, H, Poelarends, G.J, Johnson Jr, W.H, Hackert, M.L, Whitman, C.P. | Deposit date: | 2013-07-01 | Release date: | 2013-07-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.224 Å) | Cite: | Kinetic, Mutational, and Structural Analysis of Malonate Semialdehyde Decarboxylase from Coryneform Bacterium Strain FG41: Mechanistic Implications for the Decarboxylase and Hydratase Activities. Biochemistry, 52, 2013
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4LKT
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6GZA
| Structure of murine leukemia virus capsid C-terminal domain | Descriptor: | COBALT (II) ION, Capsid protein | Authors: | Qu, K, Dolezal, M, Schur, F.K.M, Murciano, B, Rumlova, M, Ruml, T, Briggs, J.A.G. | Deposit date: | 2018-07-03 | Release date: | 2018-12-05 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure and architecture of immature and mature murine leukemia virus capsids. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6H38
| The crystal structure of human carbonic anhydrase VII in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide. | Descriptor: | 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ... | Authors: | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | Deposit date: | 2018-07-17 | Release date: | 2018-12-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018
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6H7R
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6H36
| The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide. | Descriptor: | 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 7, ZINC ION | Authors: | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | Deposit date: | 2018-07-17 | Release date: | 2018-12-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018
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6HL4
| wild-type NuoEF from Aquifex aeolicus - reduced form | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-10 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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4LIT
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6HP9
| Structure of the kinase domain of human DDR1 in complex with a 2-Amino-2,3-Dihydro-1H-Indene-5-Carboxamide-based inhibitor | Descriptor: | (2~{R})-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{H}-indene-5-carboxamide, Epithelial discoidin domain-containing receptor 1 | Authors: | Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-19 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | 2-Amino-2,3-dihydro-1H-indene-5-carboxamide-Based Discoidin Domain Receptor 1 (DDR1) Inhibitors: Design, Synthesis, and in Vivo Antipancreatic Cancer Efficacy. J.Med.Chem., 62, 2019
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4L4A
| Structure of L358A/K178G mutant of P450cam bound to camphor | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Batabyal, D, Li, H, Poulos, T.L. | Deposit date: | 2013-06-07 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
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4L4J
| Crystal structure of fc-fragment of human IgG2-Sigma antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Teplyakov, A, Malia, T, Gillilang, G. | Deposit date: | 2013-06-07 | Release date: | 2013-08-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | An engineered Fc variant of an IgG eliminates all immune effector functions via structural perturbations. Methods, 65, 2014
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