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2WK8
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BU of 2wk8 by Molmil
Structure of holo form of Vibrio cholerae CqsA
Descriptor: CAI-1 AUTOINDUCER SYNTHASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Jahan, N, Potter, J.A, Sheikh, M.A, Botting, C.H, Shirran, S.L, Westwood, N.J, Taylor, G.L.
Deposit date:2009-06-08
Release date:2009-07-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights Into the Biosynthesis of the Vibrio Cholerae Major Autoinducer Cai-1 from the Crystal Structure of the Plp-Dependent Enzyme Cqsa.
J.Mol.Biol., 392, 2009
1E37
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BU of 1e37 by Molmil
PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBENZENESULPHONYL -3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE SOAKED IN PH 9 BUFFER FOR 1 MINUTE
Descriptor: (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ...
Authors:Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J.
Deposit date:2000-06-06
Release date:2000-10-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:'Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes
Biochem.J., 351, 2000
1E38
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BU of 1e38 by Molmil
PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBENZENESULPHONYL -3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE SOAKED IN PH 9 BUFFER FOR 2 MINUTES
Descriptor: (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ...
Authors:Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J.
Deposit date:2000-06-06
Release date:2000-10-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:'Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes
Biochem.J., 351, 2000
1E36
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BU of 1e36 by Molmil
PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBENZENESULPHONYL -3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE
Descriptor: (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ...
Authors:Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J.
Deposit date:2000-06-06
Release date:2000-10-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:'Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes
Biochem.J., 351, 2000
1E35
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BU of 1e35 by Molmil
PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-TOLUENESULPHONYL -3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE SOAKED IN PH 9 BUFFER FOR TWO MINUTES
Descriptor: (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ...
Authors:Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J.
Deposit date:2000-06-06
Release date:2000-10-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:'Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes
Biochem.J., 351, 2000
1E34
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BU of 1e34 by Molmil
PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA- TOLUENESULPHONYL-3-ETHYL-4-(CARBOXYLIC ACID) PYRROLIDIN-2-ONE SOAKED IN PH 9 BUFFER FOR ONE MINUTE
Descriptor: (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ...
Authors:Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J.
Deposit date:2000-06-06
Release date:2000-10-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:`Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes
Biochem.J., 351, 2000
6T38
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BU of 6t38 by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BROMIDE ION, CHLORIDE ION, ...
Authors:Alphey, M.S, Xiao, G, Westwood, J.N.
Deposit date:2019-10-10
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
6TQG
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BU of 6tqg by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ...
Authors:Alphey, M.S, Xiao, G, Westwood, J.N.
Deposit date:2019-12-16
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
6T37
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BU of 6t37 by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ...
Authors:Alphey, M.S, Xiao, G, Westwood, J.N.
Deposit date:2019-10-10
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.079 Å)
Cite:Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
1BTU
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BU of 1btu by Molmil
PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4R)-1-TOLUENESULPHONYL-3-ETHYL-AZETIDIN-2-ONE-4-CARBOXYLIC ACID
Descriptor: (3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-L-aspartic acid, CALCIUM ION, ELASTASE, ...
Authors:Wilmouth, R.C, Clifton, I.J, Schofield, C.J.
Deposit date:1998-09-01
Release date:1999-02-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Inhibition of elastase by N-sulfonylaryl beta-lactams: anatomy of a stable acyl-enzyme complex.
Biochemistry, 37, 1998
6ET4
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BU of 6et4 by Molmil
HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH NOVEL INHIBITOR
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, ACETIC ACID, CHLORIDE ION, ...
Authors:Hakansson, M, Walse, B, Gustavsson, A.-L, Lain, S.
Deposit date:2017-10-25
Release date:2018-03-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A DHODH inhibitor increases p53 synthesis and enhances tumor cell killing by p53 degradation blockage.
Nat Commun, 9, 2018
1QIX
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BU of 1qix by Molmil
Porcine pancreatic elastase complexed with human beta-casomorphin-7
Descriptor: BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE, ...
Authors:Wilmouth, R.C, Clifton, I.J, Hajdu, J, Schofield, C.J.
Deposit date:1999-06-18
Release date:1999-12-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a Specific Acyl-Enzyme Complex Formed between Beta-Casomorphin-7 and Porcine Pancreatic Elastase
Nat.Struct.Biol., 4, 1997
2BD8
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BU of 2bd8 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Arg-Phe at pH 5.0 (50 min soak) and immersed in pH 9 buffer for 30 seconds
Descriptor: CALCIUM ION, Chymotrypsin-like elastase family member 1, SULFATE ION, ...
Authors:Liu, B, Schofield, C.J, Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BD5
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BU of 2bd5 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Lys-Ser at pH 5 and immersed in pH 9 buffer for 30 seconds
Descriptor: CALCIUM ION, Chymotrypsin-like elastase family member 1, SULFATE ION, ...
Authors:Liu, B, Schofield, C.J, Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
5LHJ
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BU of 5lhj by Molmil
Bottromycin maturation enzyme BotP
Descriptor: CHLORIDE ION, GLYCEROL, Leucine aminopeptidase 2, ...
Authors:Koehnke, J, Mann, G.
Deposit date:2016-07-12
Release date:2016-10-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure and Substrate Recognition of the Bottromycin Maturation Enzyme BotP.
Chembiochem, 17, 2016
5LHK
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BU of 5lhk by Molmil
Bottromycin maturation enzyme BotP in complex with Mn
Descriptor: BICARBONATE ION, Leucine aminopeptidase 2, chloroplastic, ...
Authors:Koehnke, J, Adam, S.
Deposit date:2016-07-12
Release date:2016-10-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure and Substrate Recognition of the Bottromycin Maturation Enzyme BotP.
Chembiochem, 17, 2016
3BZ9
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BU of 3bz9 by Molmil
Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II
Descriptor: (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Allingham, J.S, Rayment, I.
Deposit date:2008-01-17
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design.
Org.Biomol.Chem., 6, 2008
3BZ7
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BU of 3bz7 by Molmil
Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II
Descriptor: (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Allingham, J.S, Rayment, I.
Deposit date:2008-01-17
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design.
Org.Biomol.Chem., 6, 2008
3BZ8
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BU of 3bz8 by Molmil
Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II
Descriptor: (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Allingham, J.S, Rayment, I.
Deposit date:2008-01-17
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design.
Org.Biomol.Chem., 6, 2008
1QNJ
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BU of 1qnj by Molmil
THE STRUCTURE OF NATIVE PORCINE PANCREATIC ELASTASE AT ATOMIC RESOLUTION (1.1 A)
Descriptor: ELASTASE, SODIUM ION, SULFATE ION
Authors:Wurtele, M, Hahn, M, Hilpert, K, Hohne, W.
Deposit date:1999-10-15
Release date:2000-03-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Atomic Resolution Structure of Native Porcine Pancreatic Elastase at 1.1 A
Acta Crystallogr.,Sect.D, 56, 2000
4XJ8
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BU of 4xj8 by Molmil
Crystal structure of apo NanB sialidase from streptococcus pneumoniae at pH 5.0 in 50mM sodium Acetate with DMSO
Descriptor: Sialidase B
Authors:Brear, P.
Deposit date:2015-01-08
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.749 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XE9
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BU of 4xe9 by Molmil
Crystal structure of the NanB sialidase from Streptococcus pneumoniae in complex with Optactin
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2014-12-23
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJ9
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BU of 4xj9 by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 5.0 in 50mM Sodium Acetate with DMSO as the cryoprotectant
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2015-01-08
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJZ
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BU of 4xjz by Molmil
Crystal structure of apo NanB sialidase from streptococcus pneumoniae at pH 7.4 in PBS with DMSO
Descriptor: DIMETHYL SULFOXIDE, PHOSPHATE ION, Sialidase B
Authors:Brear, P.
Deposit date:2015-01-09
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XOG
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BU of 4xog by Molmil
CRYSTAL STRUCTURE OF THE NANB SIALIDASE FROM STREPTOCOCCUS PNEUMONIAE IN COMPLEX WITH Optactin and DANA
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Brear, P.
Deposit date:2015-01-16
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published

225399

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