3ISA
 
 | | CRYSTAL STRUCTURE OF putative enoyl-CoA hydratase/isomerase FROM Bordetella parapertussis | | Descriptor: | CHLORIDE ION, GLYCEROL, Putative enoyl-CoA hydratase/isomerase | | Authors: | Patskovsky, Y, Malashkevich, V, Toro, R, Foti, R, Dickey, M, Miller, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-08-25 | | Release date: | 2009-09-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | CRYSTAL STRUCTURE OF enoyl-CoA hydratase FROM Bordetella parapertussis
To be Published
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4MCI
 | | Crystal structure of uridine phosphorylase from vibrio fischeri es114 complexed with DMSO, NYSGRC Target 029520. | | Descriptor: | DIMETHYL SULFOXIDE, SULFATE ION, Uridine phosphorylase | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-08-21 | | Release date: | 2013-09-04 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal structure of uridine phosphorylase from vibrio fischeri es114 complexed with DMSO, NYSGRC Target 029520.
To be Published
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7N7X
 | | Crystal structure of BCX7353(ORLADEYO) in complex with human plasma kallikrein serine protease domain at 2.1 angstrom resolution | | Descriptor: | Orladeyo, PHOSPHATE ION, Plasma kallikrein light chain | | Authors: | Krishnan, R, Yarlagadda, B.S, Kotian, P, Polach, K.J, Zhang, W. | | Deposit date: | 2021-06-11 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Berotralstat (BCX7353): Structure-Guided Design of a Potent, Selective, and Oral Plasma Kallikrein Inhibitor to Prevent Attacks of Hereditary Angioedema (HAE).
J.Med.Chem., 64, 2021
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3IRS
 | | CRYSTAL STRUCTURE OF UNCHARACTERIZED TIM-BARREL PROTEIN BB4693 FROM Bordetella bronchiseptica | | Descriptor: | GLYCEROL, SODIUM ION, SULFATE ION, ... | | Authors: | Patskovsky, Y, Malashkevich, V, Toro, R, Foti, R, Dickey, M, Do, J, Sauder, J.M, Raushel, F.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-08-24 | | Release date: | 2009-09-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | CRYSTAL STRUCTURE OF UNCHARACTERIZED HYDROLASE FROM Bordetella bronchiseptica
To be Published
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3IDU
 | | Crystal Structure of the CARDB domain of the PF1109 protein in complex with di-metal ions from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR193A | | Descriptor: | MANGANESE (II) ION, Uncharacterized protein | | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-07-21 | | Release date: | 2009-08-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Northeast Structural Genomics Consortium Target PfR193A
To be Published
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6OZV
 | | The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, SULFATE ION, ... | | Authors: | Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-05-16 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
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1N62
 | | Crystal Structure of the Mo,Cu-CO Dehydrogenase (CODH), n-butylisocyanide-bound state | | Descriptor: | CU(I)-S-MO(IV)(=O)O-NBIC CLUSTER, Carbon monoxide dehydrogenase large chain, Carbon monoxide dehydrogenase medium chain, ... | | Authors: | Dobbek, H, Gremer, L, Kiefersauer, R, Huber, R, Meyer, O. | | Deposit date: | 2002-11-08 | | Release date: | 2002-12-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Catalysis at a dinuclear [CuSMo(=O)OH] cluster in a CO dehydrogenase resolved at 1.1-A resolution
Proc.Natl.Acad.Sci.USA, 99, 2002
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4LYY
 | | Crystal structure of hypoxanthine phosphoribosyltransferase from Shewanella pealeana ATCC 700345, NYSGRC Target 029677. | | Descriptor: | Hypoxanthine phosphoribosyltransferase, PHOSPHATE ION | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-07-31 | | Release date: | 2013-08-14 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal structure of hypoxanthine phosphoribosyltransferase from Shewanella pealeana ATCC 700345, NYSGRC Target 029677.
To be Published
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3IJZ
 | | Lactobacillus casei Thymidylate Synthase ternary complex with dUMP and Pthalimidic derivative 15C | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-acetylphenyl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase | | Authors: | Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P. | | Deposit date: | 2009-08-05 | | Release date: | 2010-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
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6P1J
 | | The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo2 serine module | | Descriptor: | ACETATE ION, CHLORIDE ION, CITRATE ANION, ... | | Authors: | Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-05-20 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
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5IKU
 | | Crystal structure of the Hathewaya histolytica ColG tandem collagen-binding domain s3as3b in the presence of calcium at 1.9 Angstrom resolution | | Descriptor: | CALCIUM ION, Collagenase | | Authors: | Janowska, K, Bauer, R, Roeser, R, Sakon, J, Matsushita, O. | | Deposit date: | 2016-03-03 | | Release date: | 2017-03-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ca2+-induced orientation of tandem collagen binding domains from clostridial collagenase ColG permits two opposing functions of collagen fibril formation and retardation.
Febs J., 285, 2018
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3IK0
 | | Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 7C1 | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide, Thymidylate synthase | | Authors: | Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P. | | Deposit date: | 2009-08-05 | | Release date: | 2010-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
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1N60
 | | Crystal Structure of the Cu,Mo-CO Dehydrogenase (CODH); Cyanide-inactivated Form | | Descriptor: | Carbon monoxide dehydrogenase large chain, Carbon monoxide dehydrogenase medium chain, Carbon monoxide dehydrogenase small chain, ... | | Authors: | Dobbek, H, Gremer, L, Kiefersauer, R, Huber, R, Meyer, O. | | Deposit date: | 2002-11-08 | | Release date: | 2002-12-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Catalysis at a dinuclear [CuSMo(=O)OH] cluster in a CO dehydrogenase resolved at 1.1-A resolution
Proc.Natl.Acad.Sci.USA, 99, 2002
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4DNH
 | | Crystal structure of hypothetical protein SMc04132 from Sinorhizobium meliloti 1021 | | Descriptor: | GLYCEROL, Uncharacterized protein | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-02-08 | | Release date: | 2012-03-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of hypothetical protein SMc04132 from Sinorhizobium meliloti 1021
To be Published
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4DA9
 | | Crystal structure of putative Short-chain dehydrogenase/reductase from Sinorhizobium meliloti 1021 | | Descriptor: | SULFATE ION, Short-chain dehydrogenase/reductase | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-01-12 | | Release date: | 2012-01-25 | | Last modified: | 2014-04-02 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of putative Short-chain dehydrogenase/reductase from Sinorhizobium meliloti 1021
To be Published
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1E0X
 | | XYLANASE 10A FROM SREPTOMYCES LIVIDANS. XYLOBIOSYL-ENZYME INTERMEDIATE AT 1.65 A | | Descriptor: | ENDO-1,4-BETA-XYLANASE A, GLYCEROL, beta-D-xylopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-xylopyranose | | Authors: | Ducros, V, Charnock, S.J, Derewenda, U, Derewenda, Z.S, Dauter, Z, Dupont, C, Shareck, F, Morosoli, R, Kluepfel, D, Davies, G.J. | | Deposit date: | 2000-04-10 | | Release date: | 2001-04-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Substrate Specificity in Glycoside Hydrolase Family 10. Structural and Kinetic Analysis of the Streptomyces Lividans Xylanase 10A
J.Biol.Chem., 275, 2000
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3IHK
 | | Crystal Structure of thiamin pyrophosphokinase from S.mutans, Northeast Structural Genomics Consortium Target SmR83 | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, THIAMINE DIPHOSPHATE, ... | | Authors: | Kuzin, A, Abashidze, M, Seetharaman, J, Vorobiev, S, Mao, M, Xiao, R, Ciccosanti, C, Maglaqui, M, Foote, E.L, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-07-30 | | Release date: | 2009-08-25 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Northeast Structural Genomics Consortium Target SmR83
To be published
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2CDM
 | | The structure of TrwC complexed with a 27-mer DNA comprising the recognition hairpin and the cleavage site | | Descriptor: | 5'-D(*GP*CP*GP*CP*AP*CP*CP*GP*AP*AP *AP*GP*GP*TP*GP*CP*GP*TP*AP*TP*TP*GP*TP*CP*TP*AP*T)-3', SULFATE ION, TRWC | | Authors: | Boer, R, Russi, S, Guasch, A, Lucas, M, Blanco, A.G, Perez-Luque, R, Coll, M, de la Cruz, F. | | Deposit date: | 2006-01-25 | | Release date: | 2006-07-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Unveiling the Molecular Mechanism of a Conjugative Relaxase: The Structure of Trwc Complexed with a 27-mer DNA Comprising the Recognition Hairpin and the Cleavage Site.
J.Mol.Biol., 358, 2006
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5TZA
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A WITH 3-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl-1-[(naphthalene-2-yl)carbonyl]piperidine | | Descriptor: | MAGNESIUM ION, ZINC ION, [(3S)-3-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](naphthalen-2-yl)methanone, ... | | Authors: | Xu, R, Aertgeerts, K. | | Deposit date: | 2016-11-21 | | Release date: | 2017-02-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.
J. Med. Chem., 60, 2017
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1SZD
 | | Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD+-dependent Sir2 histone/protein deacetylases | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Zhao, K, Harshaw, R, Chai, X, Marmorstein, R. | | Deposit date: | 2004-04-05 | | Release date: | 2004-06-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD(+)-dependent Sir2 histone/protein deacetylases.
Proc.Natl.Acad.Sci.Usa, 101, 2004
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3I7J
 | | Crystal Structure of a beta-lactamase (Mb2281c) from Mycobacterium bovis, Northeast Structural Genomics Consortium Target MbR246 | | Descriptor: | beta-lactamase Mb2281c | | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-07-08 | | Release date: | 2009-07-14 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Northeast Structural Genomics Consortium Target MbR246
To be Published
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1JAC
 | | A NOVEL MODE OF CARBOHYDRATE RECOGNITION IN JACALIN, A MORACEAE PLANT LECTIN WITH A BETA-PRISM | | Descriptor: | JACALIN, methyl alpha-D-galactopyranoside | | Authors: | Sankaranarayanan, R, Sekar, K, Banerjee, R, Sharma, V, Surolia, A, Vijayan, M. | | Deposit date: | 1996-05-22 | | Release date: | 1997-06-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | A novel mode of carbohydrate recognition in jacalin, a Moraceae plant lectin with a beta-prism fold.
Nat.Struct.Biol., 3, 1996
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7AIO
 | | Structure of Human Potassium Chloride Transporter KCC3 S45D/T940D/T997D in NaCl (Subclass) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-09-28 | | Release date: | 2021-06-02 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
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7AIN
 | | Structure of Human Potassium Chloride Transporter KCC3 S45D/T940D/T997D in NaCl (Reference Map) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-09-28 | | Release date: | 2021-06-02 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
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7AIR
 | | Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Subclass 2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Ebenhoch, R, Chi, G, Man, H, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Liko, I, Tehan, B.G, Almeida, F.G, Arrowsmith, C.H, Tang, H, Robinson, C.V, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-09-28 | | Release date: | 2021-06-02 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.66 Å) | | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
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