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6X5J
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BU of 6x5j by Molmil
Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
Descriptor: 2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, Coagulation factor IX, ...
Authors:Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S.
Deposit date:2020-05-26
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.513 Å)
Cite:Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6X5L
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BU of 6x5l by Molmil
Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
Descriptor: 4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide, CITRIC ACID, Coagulation factor IX, ...
Authors:Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S.
Deposit date:2020-05-26
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6Y0E
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BU of 6y0e by Molmil
Nbe LBM
Descriptor: NBe-LBM, TERBIUM(III) ION
Authors:Pompidor, G, Zimmermann, S, Loew, C, Schneider, T.
Deposit date:2020-02-07
Release date:2021-02-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Engineered nanobodies with a lanthanide binding motif for crystallographic phasing
To Be Published
6Y1R
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BU of 6y1r by Molmil
Nb22-LBT
Descriptor: Nb22-LBT, SULFATE ION, TERBIUM(III) ION
Authors:Pompidor, G, Zimmermann, S, Loew, C, Schneider, T.
Deposit date:2020-02-13
Release date:2021-02-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Engineered nanobodies with a lanthanide binding motif for crystallographic phasing
To Be Published
4QI9
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BU of 4qi9 by Molmil
Crystal structure of dihydrofolate reductase from Yersinia pestis complexed with methotrexate
Descriptor: Dihydrofolate reductase, METHOTREXATE
Authors:Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-05-30
Release date:2014-07-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Crystal structure of dihydrofolate reductase from Yersinia pestis complexed with methotrexate
To be Published
1UBP
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BU of 1ubp by Molmil
CRYSTAL STRUCTURE OF UREASE FROM BACILLUS PASTEURII INHIBITED WITH BETA-MERCAPTOETHANOL AT 1.65 ANGSTROMS RESOLUTION
Descriptor: BETA-MERCAPTOETHANOL, NICKEL (II) ION, UREASE
Authors:Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S.
Deposit date:1998-01-21
Release date:1999-03-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The complex of Bacillus pasteurii urease with beta-mercaptoethanol from X-ray data at 1.65-A resolution
J.Biol.Inorg.Chem., 3, 1998
4QM6
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BU of 4qm6 by Molmil
Structure of bacterial polynucleotide kinase bound to GTP and RNA
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Metallophosphoesterase, ...
Authors:Das, U, Wang, L.K, Smith, P, Shuman, S.
Deposit date:2014-06-15
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of bacterial polynucleotide kinase in a michaelis complex with nucleoside triphosphate (NTP)-Mg2+ and 5'-OH RNA and a mixed substrate-product complex with NTP-Mg2+ and a 5'-phosphorylated oligonucleotide.
J.Bacteriol., 196, 2014
3UBP
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BU of 3ubp by Molmil
DIAMIDOPHOSPHATE INHIBITED BACILLUS PASTEURII UREASE
Descriptor: DIAMIDOPHOSPHATE, NICKEL (II) ION, PROTEIN (UREASE ALPHA SUBUNIT), ...
Authors:Benini, S, Rypniewski, W.R, Wilson, K.S, Miletti, S, Mangani, S, Ciurli, S.
Deposit date:1998-12-16
Release date:1999-12-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:A new proposal for urease mechanism based on the crystal structures of the native and inhibited enzyme from Bacillus pasteurii: why urea hydrolysis costs two nickels.
Structure Fold.Des., 7, 1999
6X5P
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BU of 6x5p by Molmil
Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
Descriptor: 3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide, CITRIC ACID, Coagulation factor IX, ...
Authors:Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S.
Deposit date:2020-05-26
Release date:2020-06-24
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
4R7K
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BU of 4r7k by Molmil
1.88 Angstrom Resolution Crystal Structure of Hypothetical Protein jhp0584 from Helicobacter pylori.
Descriptor: Hypothetical protein jhp0584
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Flores, K, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:1.88 Angstrom Resolution Crystal Structure of Hypothetical Protein jhp0584 from Helicobacter pylori.
To be Published
4R86
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BU of 4r86 by Molmil
Crystal Structure of Aminoglycoside/Multidrug Efflux System AcrD from Salmonella typhimurium
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kim, Y, Maltseva, N, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-08-29
Release date:2014-10-08
Last modified:2016-10-12
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Crystal Structure of Aminoglycoside/Multidrug Efflux System AcrD from Salmonella typhimurium
To be Published
3E0S
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BU of 3e0s by Molmil
Crystal structure of an uncharacterized protein from Chlorobium tepidum
Descriptor: SULFATE ION, uncharacterized protein
Authors:Bonanno, J.B, Dickey, M, Bain, K.T, Powell, A, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-07-31
Release date:2008-08-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure of an uncharacterized protein from Chlorobium tepidum
To be Published
4R7O
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BU of 4r7o by Molmil
Crystal Structure of Putative Glycerophosphoryl Diester Phosphodiesterasefrom Bacillus anthraci
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Kim, Y, Zhou, M, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-08-28
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.534 Å)
Cite:Crystal Structure of Putative Glycerophosphoryl Diester Phosphodiesterasefrom Bacillus anthraci
To be Published
3EDM
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BU of 3edm by Molmil
Crystal structure of a short chain dehydrogenase from Agrobacterium tumefaciens
Descriptor: Short chain dehydrogenase
Authors:Bonanno, J.B, Rutter, M, Bain, K.T, Chang, S, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-09-03
Release date:2008-09-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a short chain dehydrogenase from Agrobacterium tumefaciens
To be Published
2LWJ
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BU of 2lwj by Molmil
NMR solution structure Myxoccoccus xanthus CdnL
Descriptor: Transcriptional regulator, CarD family
Authors:Jimenez, M, Padmanabhan, S, Mirassou, Y.
Deposit date:2012-08-01
Release date:2014-02-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Insights into RNA Polymerase Recognition and Essential Function of Myxococcus xanthus CdnL.
Plos One, 9, 2014
3EGC
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BU of 3egc by Molmil
Crystal structure of a putative ribose operon repressor from Burkholderia thailandensis
Descriptor: putative ribose operon repressor
Authors:Bonanno, J.B, Patskovsky, Y, Gilmore, M, Bain, K.T, Hu, S, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-09-10
Release date:2008-09-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of a putative ribose operon repressor from Burkholderia thailandensis
To be Published
3ERV
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BU of 3erv by Molmil
Crystal structure of an putative C39-like peptidase from Bacillus anthracis
Descriptor: 1,2-ETHANEDIOL, putative C39-like peptidase
Authors:Bonanno, J.B, Rutter, M, Bain, K.T, Iizuka, M, Ozyurt, S, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-10-03
Release date:2008-10-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of an putative C39-like peptidase from Bacillus anthracis
To be Published
3EMX
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BU of 3emx by Molmil
Crystal structure of thioredoxin from Aeropyrum pernix
Descriptor: Thioredoxin
Authors:Bonanno, J.B, Dickey, M, Bain, K.T, Miller, S, Sampathkumar, P, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-09-25
Release date:2008-10-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of thioredoxin from Aeropyrum pernix
To be Published
4R7R
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BU of 4r7r by Molmil
Crystal Structure of Putative Lipoprotein from Clostridium perfringens
Descriptor: GLYCEROL, Putative lipoprotein
Authors:Kim, Y, Zhou, M, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-08-28
Release date:2014-09-10
Method:X-RAY DIFFRACTION (2.449 Å)
Cite:Crystal Structure of Putative Lipoprotein from Clostridium perfringens
To be Published
2IM9
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BU of 2im9 by Molmil
Crystal structure of protein LPG0564 from Legionella pneumophila str. Philadelphia 1, Pfam DUF1460
Descriptor: Hypothetical protein
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Powell, A, Ozyurt, S, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-10-04
Release date:2006-10-17
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal structure of hypothetical protein from Legionella pneumophila subsp. pneumophila str. Philadelphia 1
TO BE PUBLISHED
6Z2Z
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BU of 6z2z by Molmil
M2 mutant (R111K:Y134F:T54V:R132Q:P39Y:R59Y) of human cellular retinoic acid binding protein II - 2a conjugate
Descriptor: Cellular retinoic acid-binding protein 2, methyl (~{Z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2020-05-19
Release date:2021-06-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Xanthopsin-Like Systems via Site-Specific Click-Functionalization of a Retinoic Acid Binding Protein.
Chembiochem, 23, 2022
6Z2U
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BU of 6z2u by Molmil
M2 mutant (R111K:Y134F:T54V:R132Q:P39Y:R59Y) of human cellular retinoic acid binding protein II
Descriptor: Cellular retinoic acid-binding protein 2
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2020-05-18
Release date:2021-06-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Xanthopsin-Like Systems via Site-Specific Click-Functionalization of a Retinoic Acid Binding Protein.
Chembiochem, 23, 2022
3CLW
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BU of 3clw by Molmil
Crystal structure of conserved exported protein from Bacteroides fragilis
Descriptor: Conserved exported protein
Authors:Bonanno, J.B, Rutter, M, Bain, K.T, Chang, S, Ozyurt, K, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-03-20
Release date:2008-04-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Crystal structure of conserved exported protein from Bacteroides fragilis.
To be Published
3FBT
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BU of 3fbt by Molmil
Crystal structure of a chorismate mutase/shikimate 5-dehydrogenase fusion protein from Clostridium acetobutylicum
Descriptor: SULFATE ION, chorismate mutase and shikimate 5-dehydrogenase fusion protein
Authors:Bonanno, J.B, Gilmore, M, Bain, K.T, Hu, S, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-11-19
Release date:2008-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a chorismate mutase/shikimate 5-dehydrogenase fusion protein from Clostridium acetobutylicum
To be Published
5DGN
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BU of 5dgn by Molmil
Crystal structure of human FPPS in complex with compound 13
Descriptor: 8-(naphthalen-1-yl)quinoline-2-carboxylic acid, Farnesyl pyrophosphate synthase
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-08-28
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015

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數據於2024-09-18公開中

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