3U6I
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![BU of 3u6i by Molmil](/molmil-images/mine/3u6i) | Crystal structure of c-Met in complex with pyrazolone inhibitor 58a | Descriptor: | Hepatocyte growth factor receptor, N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide | Authors: | Bellon, S.F, Whittington, D.A, Long, A.L. | Deposit date: | 2011-10-12 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives. J.Med.Chem., 55, 2012
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1C29
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![BU of 1c29 by Molmil](/molmil-images/mine/1c29) | CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID | Descriptor: | 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | Authors: | Sachpatzidis, A, Dealwis, C, Lubetsky, J.B, Liang, P.H, Anderson, K.S, Lolis, E. | Deposit date: | 1999-07-23 | Release date: | 2000-01-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase. Biochemistry, 38, 1999
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1C9D
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1C8V
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![BU of 1c8v by Molmil](/molmil-images/mine/1c8v) | CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLTHIO)-BUTYLPHOSPHONIC ACID | Descriptor: | 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | Authors: | Sachpatzidis, A, Dealwis, C, Lubetsky, J.B, Liang, P.H, Anderson, K.S, Lolis, E. | Deposit date: | 1999-07-30 | Release date: | 2000-01-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase. Biochemistry, 38, 1999
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1CW2
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![BU of 1cw2 by Molmil](/molmil-images/mine/1cw2) | CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID | Descriptor: | 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | Authors: | Sachpatzidis, A, Dealwis, C, Lubetsky, J.B, Liang, P.H, Anderson, K.S, Lolis, E. | Deposit date: | 1999-08-25 | Release date: | 1999-12-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase. Biochemistry, 38, 1999
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1CX9
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![BU of 1cx9 by Molmil](/molmil-images/mine/1cx9) | CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID | Descriptor: | 4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | Authors: | Sachpatzidis, A, Dealwis, C, Lubetsky, J.B, Liang, P.H, Anderson, K.S, Lolis, E. | Deposit date: | 1999-08-29 | Release date: | 1999-12-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase. Biochemistry, 38, 1999
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7KEQ
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![BU of 7keq by Molmil](/molmil-images/mine/7keq) | avibactam-CDD-1 6 minute complex | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | Deposit date: | 2020-10-11 | Release date: | 2021-01-20 | Last modified: | 2021-05-26 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam. Acs Infect Dis., 7, 2021
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7KER
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![BU of 7ker by Molmil](/molmil-images/mine/7ker) | avibactam-CDD-1 45 minute complex | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | Deposit date: | 2020-10-12 | Release date: | 2021-01-20 | Last modified: | 2021-05-26 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam. Acs Infect Dis., 7, 2021
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7KEP
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![BU of 7kep by Molmil](/molmil-images/mine/7kep) | avibactam-CDD-1 2 minute complex | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | Deposit date: | 2020-10-11 | Release date: | 2021-01-20 | Last modified: | 2021-05-26 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam. Acs Infect Dis., 7, 2021
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7LQV
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![BU of 7lqv by Molmil](/molmil-images/mine/7lqv) | Cryo-EM structure of NTD-directed neutralizing antibody 4-8 Fab in complex with SARS-CoV-2 S2P spike | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-8 Heavy Chain, 4-8 Light chain, ... | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | Deposit date: | 2021-02-15 | Release date: | 2021-03-24 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Potent SARS-CoV-2 Neutralizing Antibodies Directed Against Spike N-Terminal Domain Target a Single Supersite Cell Host Microbe, 2021
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7LQW
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![BU of 7lqw by Molmil](/molmil-images/mine/7lqw) | Cryo-EM structure of NTD-directed neutralizing antibody 2-17 Fab in complex with SARS-CoV-2 S2P spike | Descriptor: | 2-17 Heavy Chain, 2-17 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | Deposit date: | 2021-02-15 | Release date: | 2021-03-24 | Last modified: | 2021-05-26 | Method: | ELECTRON MICROSCOPY (4.47 Å) | Cite: | Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite. Cell Host Microbe, 29, 2021
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7L2C
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![BU of 7l2c by Molmil](/molmil-images/mine/7l2c) | Crystallographic structure of neutralizing antibody 2-51 in complex with SARS-CoV-2 spike N-terminal domain (NTD) | Descriptor: | 2-51 heavy chain, 2-51 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cerutti, G, Reddem, E.R, Shapiro, L. | Deposit date: | 2020-12-16 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite. Cell Host Microbe, 29, 2021
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7L2E
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7L2F
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7L2D
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7JVV
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![BU of 7jvv by Molmil](/molmil-images/mine/7jvv) | Crystal structure of human histone deacetylase 8 (HDAC8) E66D/Y306F double mutation complexed with a tetrapeptide substrate | Descriptor: | 1,2-ETHANEDIOL, ACE-ARG-HIS-ALY-ALY-MCM, GLYCEROL, ... | Authors: | Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M. | Deposit date: | 2020-08-24 | Release date: | 2020-12-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders. J.Struct.Biol., 213, 2020
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7JVU
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![BU of 7jvu by Molmil](/molmil-images/mine/7jvu) | Crystal structure of human histone deacetylase 8 (HDAC8) I45T mutation complexed with SAHA | Descriptor: | 1,2-ETHANEDIOL, Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ... | Authors: | Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M. | Deposit date: | 2020-08-24 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5004766 Å) | Cite: | Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders. J.Struct.Biol., 213, 2020
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7JVW
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![BU of 7jvw by Molmil](/molmil-images/mine/7jvw) | Crystal structure of human histone deacetylase 8 (HDAC8) G320R mutation complexed with M344 | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ... | Authors: | Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M. | Deposit date: | 2020-08-24 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.40301776 Å) | Cite: | Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders. J.Struct.Biol., 213, 2020
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2BHC
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![BU of 2bhc by Molmil](/molmil-images/mine/2bhc) | Na substituted E. coli Aminopeptidase P | Descriptor: | CITRATE ANION, MAGNESIUM ION, SODIUM ION, ... | Authors: | Graham, S.C, Bond, C.S, Freeman, H.C, Guss, J.M. | Deposit date: | 2005-01-10 | Release date: | 2005-09-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Functional Implications of Metal Ion Selection in Aminopeptidase P, a Metalloprotease with a Dinuclear Metal Center. Biochemistry, 44, 2005
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7LAM
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![BU of 7lam by Molmil](/molmil-images/mine/7lam) | Crystal structure of Campylobacter jejuni Cj0843c lytic transglycosylase in complex with N,N',N''-triacetylchitotriose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CITRIC ACID, ... | Authors: | van den Akker, F, Kumar, V. | Deposit date: | 2021-01-06 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Turnover Chemistry and Structural Characterization of the Cj0843c Lytic Transglycosylase of Campylobacter jejuni . Biochemistry, 60, 2021
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7LAQ
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1YFM
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![BU of 1yfm by Molmil](/molmil-images/mine/1yfm) | |
2VXS
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![BU of 2vxs by Molmil](/molmil-images/mine/2vxs) | Structure of IL-17A in complex with a potent, fully human neutralising antibody | Descriptor: | FAB FRAGMENT, INTERLEUKIN-17A, SULFATE ION | Authors: | Gerhardt, S, Hargreaves, D, Pauptit, R.A, Davies, R.A, Russell, C, Welsh, F, Tuske, S.J, Coales, S.J, Hamuro, Y, Needham, M.R.C, Langham, C, Barker, W, Bell, P, Aziz, A, Smith, M.J, Dawson, S, Abbott, W.M. | Deposit date: | 2008-07-09 | Release date: | 2009-07-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Structure of Il-17A in Complex with a Potent, Fully Human Neutralising Antibody. J.Mol.Biol., 394, 2009
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6Q2V
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6Q5Y
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![BU of 6q5y by Molmil](/molmil-images/mine/6q5y) | |