1MDZ
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![BU of 1mdz by Molmil](/molmil-images/mine/1mdz) | Crystal structure of ArnB aminotransferase with cycloserine and pyridoxal 5' phosphate | Descriptor: | ArnB aminotransferase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Noland, B.W, Newman, J.M, Hendle, J, Badger, J, Christopher, J.A, Tresser, J, Buchanan, M.D, Wright, T, Rutter, M.E, Sanderson, W.E, Muller-Dieckmann, H.-J, Gajiwala, K.S, Sauder, J.M, Buchanan, S.G. | Deposit date: | 2002-08-07 | Release date: | 2002-12-11 | Last modified: | 2018-12-26 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural studies of Salmonella typhimurium ArnB (PmrH) aminotransferase: A 4-amino-4-deoxy-L-arabinose lipopolysaccharide modifying enzyme Structure, 10, 2002
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1MDX
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![BU of 1mdx by Molmil](/molmil-images/mine/1mdx) | Crystal structure of ArnB transferase with pyridoxal 5' phosphate | Descriptor: | 2-OXOGLUTARIC ACID, ArnB aminotransferase, GLYCEROL, ... | Authors: | Noland, B.W, Newman, J.M, Hendle, J, Badger, J, Christopher, J.A, Tresser, J, Buchanan, M.D, Wright, T.A, Rutter, M.E, Sanderson, W.E, Muller-Dieckmann, H.-J, Gajiwala, K.S, Sauder, J.M, Buchanan, S.G. | Deposit date: | 2002-08-07 | Release date: | 2002-12-11 | Last modified: | 2018-12-26 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural studies of Salmonella typhimurium ArnB (PmrH) aminotransferase: A 4-amino-4-deoxy-L-arabinose lipopolysaccharide modifying enzyme Structure, 10, 2002
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6MNH
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![BU of 6mnh by Molmil](/molmil-images/mine/6mnh) | ULK1 Unc-51 like autophagy activating kinase in complex with inhibitor BTC | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide, ... | Authors: | Hendle, J, Sauder, J.M, Hickey, M.J, Rauch, C.T, Maletic, M, Schwinn, K.D. | Deposit date: | 2018-10-01 | Release date: | 2019-03-27 | Last modified: | 2019-11-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Idea2Data: Toward a New Paradigm for Drug Discovery. Acs Med.Chem.Lett., 10, 2019
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3LOM
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![BU of 3lom by Molmil](/molmil-images/mine/3lom) | CRYSTAL STRUCTURE OF GERANYLTRANSFERASE FROM Legionella pneumophila | Descriptor: | Geranyltranstransferase, PHOSPHATE ION | Authors: | Patskovsky, Y, Toro, R, Rutter, M, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-02-04 | Release date: | 2010-02-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily. Proc.Natl.Acad.Sci.USA, 110, 2013
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8TCE
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![BU of 8tce by Molmil](/molmil-images/mine/8tce) | |
8V8Z
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![BU of 8v8z by Molmil](/molmil-images/mine/8v8z) | |
8V9B
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![BU of 8v9b by Molmil](/molmil-images/mine/8v9b) | Lipoprotein(a) Kringle IV domain 7 - Lp(a) KIV7 in complex with LY3441732 | Descriptor: | (2S,2'S)-3,3'-[carbonylbis(azanediyl-3,1-phenylene)]bis{2-[(3R)-pyrrolidin-1-ium-3-yl]propanoate}, Apolipoprotein(a), MAGNESIUM ION, ... | Authors: | Hendle, J, Weichert, K, Sauder, J.M. | Deposit date: | 2023-12-07 | Release date: | 2024-05-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Discovery of potent small-molecule inhibitors of lipoprotein(a) formation. Nature, 629, 2024
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1XMI
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![BU of 1xmi by Molmil](/molmil-images/mine/1xmi) | Crystal structure of human F508A NBD1 domain with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Lewis, H.A, Zhao, X, Wang, C, Sauder, J.M, Rooney, I, Noland, B.W, Lorimer, D, Kearins, M.C, Conners, K, Condon, B, Maloney, P.C, Guggino, W.B, Hunt, J.F, Emtage, S, Structural GenomiX | Deposit date: | 2004-10-02 | Release date: | 2004-11-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Impact of the delta-F508 Mutation in First Nucleotide-binding Domain of Human Cystic Fibrosis Transmembrane Conductance Regulator on Domain Folding and Structure J.Biol.Chem., 280, 2005
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1XMJ
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![BU of 1xmj by Molmil](/molmil-images/mine/1xmj) | Crystal structure of human deltaF508 human NBD1 domain with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Lewis, H.A, Zhao, X, Wang, C, Sauder, J.M, Rooney, I, Noland, B.W, Lorimer, D, Kearins, M.C, Conners, K, Condon, B, Maloney, P.C, Guggino, W.B, Hunt, J.F, Emtage, S, Structural GenomiX | Deposit date: | 2004-10-02 | Release date: | 2004-11-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Impact of the delta-F508 Mutation in First Nucleotide-binding Domain of Human Cystic Fibrosis Transmembrane Conductance Regulator on Domain Folding and Structure J.Biol.Chem., 280, 2005
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2BBO
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![BU of 2bbo by Molmil](/molmil-images/mine/2bbo) | Human NBD1 with Phe508 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Lewis, H.A, Kearins, M.C, Conners, K, Zhao, X, Lu, F, Sauder, J.M, Emtage, S. | Deposit date: | 2005-10-17 | Release date: | 2005-11-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure and dynamics of NBD1 from CFTR characterized using crystallography and hydrogen/deuterium exchange mass spectrometry. J.Mol.Biol., 396, 2010
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2BBS
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![BU of 2bbs by Molmil](/molmil-images/mine/2bbs) | Human deltaF508 NBD1 with three solubilizing mutations | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Lewis, H.A, Kearins, M.C, Conners, K, Zhao, X, Lu, F, Sauder, J.M, Emtage, S. | Deposit date: | 2005-10-17 | Release date: | 2005-11-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure and dynamics of NBD1 from CFTR characterized using crystallography and hydrogen/deuterium exchange mass spectrometry. J.Mol.Biol., 396, 2010
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2BBT
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![BU of 2bbt by Molmil](/molmil-images/mine/2bbt) | Human deltaF508 NBD1 with two solublizing mutations. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Lewis, H.A, Kearins, M.C, Conners, K, Zhao, X, Lu, F, Sauder, J.M, Emtage, S. | Deposit date: | 2005-10-17 | Release date: | 2005-11-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and dynamics of NBD1 from CFTR characterized using crystallography and hydrogen/deuterium exchange mass spectrometry. J.Mol.Biol., 396, 2010
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2FH7
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![BU of 2fh7 by Molmil](/molmil-images/mine/2fh7) | Crystal structure of the phosphatase domains of human PTP SIGMA | Descriptor: | Receptor-type tyrosine-protein phosphatase S | Authors: | Alvarado, J, Udupi, R, Smith, D, Koss, J, Wasserman, S.R, Ozyurt, S, Atwell, S, Powell, A, Kearins, M.C, Rooney, I, Maletic, M, Bain, K.T, Freeman, J.C, Russell, M, Thompson, D.A, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2005-12-23 | Release date: | 2006-01-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural genomics of protein phosphatases. J.STRUCT.FUNCT.GENOM., 8, 2007
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7LVM
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![BU of 7lvm by Molmil](/molmil-images/mine/7lvm) | |
7LVJ
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![BU of 7lvj by Molmil](/molmil-images/mine/7lvj) | CASP8 isoform G DED domain | Descriptor: | Isoform 9 of Caspase-8 | Authors: | Weichert, K, Lu, F, Kodandapani, L, Sauder, J.M. | Deposit date: | 2021-02-25 | Release date: | 2022-03-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Caspase-8 Variant G Regulates Rheumatoid Arthritis Fibroblast-Like Synoviocyte Aggressive Behavior. ACR Open Rheumatol, 4, 2022
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7MMO
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![BU of 7mmo by Molmil](/molmil-images/mine/7mmo) | LY-CoV1404 neutralizing antibody against SARS-CoV-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LY-CoV1404 Fab heavy chain, LY-CoV1404 Fab light chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D. | Deposit date: | 2021-04-30 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.427 Å) | Cite: | LY-CoV1404 (bebtelovimab) potently neutralizes SARS-CoV-2 variants. Biorxiv, 2022
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4D8L
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![BU of 4d8l by Molmil](/molmil-images/mine/4d8l) | Crystal structure of the 2-pyrone-4,6-dicarboxylic acid hydrolase from sphingomonas paucimobilis | Descriptor: | 2-pyrone-4,6-dicarbaxylate hydrolase | Authors: | Malashkevich, V.N, Toro, R, Bonanno, J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2012-01-10 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and Catalytic Mechanism of LigI: Insight into the Amidohydrolase Enzymes of cog3618 and Lignin Degradation. Biochemistry, 51, 2012
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4DWD
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![BU of 4dwd by Molmil](/molmil-images/mine/4dwd) | Crystal structure of mandelate racemase/muconate lactonizing protein from Paracoccus denitrificans PD1222 complexed with magnesium | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, ... | Authors: | Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-02-24 | Release date: | 2012-03-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of mandelate racemase/muconate lactonizing protein from Paracoccus denitrificans PD1222 complexed with magnesium To be Published
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4F0R
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![BU of 4f0r by Molmil](/molmil-images/mine/4f0r) | Crystal structure of an adenosine deaminase homolog from Chromobacterium violaceum (target NYSGRC-019589) bound Zn and 5'-Methylthioadenosine (unproductive complex) | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-methylthioadenosine/S-adenosylhomocysteine deaminase, GLYCEROL, ... | Authors: | Kim, J, Vetting, M.W, Sauder, J.M, Burley, S.K, Raushel, F.M, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-05-04 | Release date: | 2012-06-06 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of an adenosine deaminase homolog from Chromobacterium violaceum (target NYSGRC-019589) bound Zn and 5'-Methylthioadenosine (unproductive complex) To be Published
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4F0S
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![BU of 4f0s by Molmil](/molmil-images/mine/4f0s) | Crystal structure of an adenosine deaminase homolog from Chromobacterium violaceum (target NYSGRC-019589) with bound inosine. | Descriptor: | 5-methylthioadenosine/S-adenosylhomocysteine deaminase, CHLORIDE ION, INOSINE, ... | Authors: | Kim, J, Vetting, M.W, Sauder, J.M, Burley, S.K, Raushel, F.M, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-05-04 | Release date: | 2012-06-06 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Crystal structure of an adenosine deaminase homolog from Chromobacterium violaceum (target NYSGRC-019589) with bound inosine. To be Published
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4HL7
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![BU of 4hl7 by Molmil](/molmil-images/mine/4hl7) | Crystal structure of nicotinate phosphoribosyltransferase (target NYSGR-026035) from Vibrio cholerae | Descriptor: | Nicotinate phosphoribosyltransferase, SULFATE ION | Authors: | Mulichak, A.M, Sauder, J.M, Keefe, L.J, Burley, S.K, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-10-16 | Release date: | 2012-11-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of nicotinate phosphoribosyltransferase (target NYSGR-026035) from Vibrio cholerae To be Published
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4IJI
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![BU of 4iji by Molmil](/molmil-images/mine/4iji) | Crystal structure of a glutathione transferase family member from Psuedomonas fluorescens Pf-5, target EFI-900011, with bound S-(propanoic acid)-glutathione | Descriptor: | ACRYLIC ACID, BENZOIC ACID, Glutathione S-transferase-like protein YibF, ... | Authors: | Vetting, M.W, Sauder, J.M, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Burley, S.K, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-12-21 | Release date: | 2013-02-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of a glutathione transferase family member from Psuedomonas fluorescens Pf-5, target EFI-900011, with bound S-(propanoic acid)-glutathione To be Published
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4IBP
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![BU of 4ibp by Molmil](/molmil-images/mine/4ibp) | Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens Pf-5, target EFI-900011, with bound glutathione | Descriptor: | GLUTATHIONE, Glutathione S-transferase-like protein YibF, SULFATE ION | Authors: | Vetting, M.W, Sauder, J.M, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Burley, S.K, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-12-09 | Release date: | 2012-12-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens Pf-5, target IFI-900011, with bound glutathione To be Published
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4ID0
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![BU of 4id0 by Molmil](/molmil-images/mine/4id0) | Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens Pf-5, target EFI-900011, with bound glutathione sulfinic acid (gso2h) and acetate | Descriptor: | ACETATE ION, GLYCEROL, Glutathione S-transferase-like protein YibF, ... | Authors: | Vetting, M.W, Sauder, J.M, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Burley, S.K, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-12-11 | Release date: | 2012-12-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens Pf-5, target EFI-900011, with bound glutathione sulfinic acid (gso2h) and acetate To be Published
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4IKH
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![BU of 4ikh by Molmil](/molmil-images/mine/4ikh) | Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens pf-5, target efi-900003, with two glutathione bound | Descriptor: | CHLORIDE ION, GLUTATHIONE, Glutathione S-transferase | Authors: | Vetting, M.W, Sauder, J.M, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Burley, S.K, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-12-26 | Release date: | 2013-01-16 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens pf-5, target efi-900003, with two glutathione bound To be Published
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