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1GQC
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BU of 1gqc by Molmil
THE STRUCTURE OF CMP:2-KETO-3-DEOXY-MANNO-OCTONIC ACID SYNTHETASE COMPLEXED WITH CMP-Kdo at 100K
Descriptor: 3-DEOXY-MANNO-OCTULOSONATE CYTIDYLYLTRANSFERASE, CYTIDINE 5'-MONOPHOSPHATE 3-DEOXY-BETA-D-GULO-OCT-2-ULO-PYRANOSONIC ACID, CYTIDINE-5'-MONOPHOSPHATE, ...
Authors:Jelakovic, S, Schulz, G.E.
Deposit date:2001-11-21
Release date:2002-02-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Catalytic Mechanism of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase as Derived from Complexes with Reaction Educt and Product.
Biochemistry, 41, 2002
1GQ9
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BU of 1gq9 by Molmil
THE STRUCTURE OF CMP:2-KETO-3-DEOXY-MANNO-OCTONIC ACID SYNTHETASE COMPLEXED WITH CTP at 100K
Descriptor: 3-DEOXY-MANNO-OCTULOSONATE CYTIDYLYLTRANSFERASE, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Jelakovic, S, Schulz, G.E.
Deposit date:2001-11-21
Release date:2002-02-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Catalytic Mechanism of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase as Derived from Complexes with Reaction Educt and Product.
Biochemistry, 41, 2002
1H7E
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The structure of CMP:2-keto-3-deoxy-manno-octonic acid synthetase and of its complexes with substrates and substrate analogues, Apo-enzyme
Descriptor: 3-DEOXY-MANNO-OCTULOSONATE CYTIDYLYLTRANSFERASE
Authors:Jelakovic, S, Schulz, G.E.
Deposit date:2001-07-06
Release date:2001-09-13
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:The Structure of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase and of its Complexes with Substrates and Substrate Analogs
J.Mol.Biol., 312, 2001
1H7H
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BU of 1h7h by Molmil
The structure of CMP:2-keto-3-deoxy-manno-octonic acid synthetase and of its complexes with substrates and substrate analogues, CDP complex
Descriptor: 3-DEOXY-MANNO-OCTULOSONATE CYTIDYLYLTRANSFERASE, CYTIDINE-5'-DIPHOSPHATE
Authors:Jelakovic, S, Schulz, G.E.
Deposit date:2001-07-06
Release date:2001-09-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Structure of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase and of its Complexes with Substrates and Substrate Analogs
J.Mol.Biol., 312, 2001
1H7F
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BU of 1h7f by Molmil
The structure of CMP:2-keto-3-deoxy-manno-octonic acid synthetase and of its complexes with substrates and substrate analogues, CMP complex
Descriptor: 3-DEOXY-MANNO-OCTULOSONATE CYTIDYLYLTRANSFERASE, CYTIDINE-5'-MONOPHOSPHATE
Authors:Jelakovic, S, Schulz, G.E.
Deposit date:2001-07-06
Release date:2001-09-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The Structure of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase and of its Complexes with Substrates and Substrate Analogs
J.Mol.Biol., 312, 2001
1H7T
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BU of 1h7t by Molmil
The structure of CMP:2-keto-3-deoxy-manno-octonic acid synthetase and of its complexes with substrates and substrate analogues, here complex with CMP-NeuAc
Descriptor: 3-DEOXY-MANNO-OCTULOSONATE CYTIDYLYLTRANSFERASE, CYTIDINE-5'-MONOPHOSPHATE, N-acetyl-alpha-neuraminic acid
Authors:Jelakovic, S, Schulz, G.E.
Deposit date:2001-07-10
Release date:2001-09-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:The Structure of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase and of its Complexes with Substrates and Substrate Analogs
J.Mol.Biol., 312, 2001
1H7G
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The structure of CMP:2-keto-3-deoxy-manno-octonic acid synthetase and of its complexes with substrates and substrate analogues, CTP MG2+ complex
Descriptor: 3-DEOXY-MANNO-OCTULOSONATE CYTIDYLYLTRANSFERASE, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Jelakovic, S, Schulz, G.E.
Deposit date:2001-07-06
Release date:2001-09-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:The Structure of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase and of its Complexes with Substrates and Substrate Analogs
J.Mol.Biol., 312, 2001
1H1Y
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The structure of the cytosolic D-ribulose-5-phosphate 3-epimerase from rice complexed with sulfate
Descriptor: D-RIBULOSE-5-PHOSPHATE 3-EPIMERASE, SULFATE ION
Authors:Jelakovic, S, Schulz, G.E.
Deposit date:2002-07-25
Release date:2003-01-30
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure and Catalytic Mechanism of the Cytosolic D-Ribulose-5-Phosphate 3-Epimerase from Rice
J.Mol.Biol., 326, 2003
1H1Z
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BU of 1h1z by Molmil
The structure of the cytosolic D-ribulose-5-phosphate 3-epimerase from rice complexed with sulfate and zinc
Descriptor: D-RIBULOSE-5-PHOSPHATE 3-EPIMERASE, SULFATE ION, ZINC ION
Authors:Jelakovic, S, Schulz, G.E.
Deposit date:2002-07-25
Release date:2003-01-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure and Catalytic Mechanism of the Cytosolic D-Ribulose-5-Phosphate 3-Epimerase from Rice
J.Mol.Biol., 326, 2003
1H6J
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BU of 1h6j by Molmil
The three-dimensional structure of capsule-specific CMP:2-keto-3-deoxy-manno-octonic acid synthetase from Escherichia coli
Descriptor: 3-DEOXY-MANNO-OCTULOSONATE CYTIDYLYLTRANSFERASE
Authors:Jelakovic, S, Jann, K, Schulz, G.E.
Deposit date:2001-06-17
Release date:2001-07-12
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:The Three-Dimensional Structure of Capsule-Specific Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase from Escherichia Coli
FEBS Lett., 391, 1996
1OKX
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BU of 1okx by Molmil
Binding Structure of Elastase Inhibitor Scyptolin A
Descriptor: ELASTASE 1, SCYPTOLIN A
Authors:Matern, U, Schleberger, C, Jelakovic, S, Weckesser, J, Schulz, G.E.
Deposit date:2003-07-31
Release date:2003-10-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding Structure of Elastase Inhibitor Scyptolin A
Chem.Biol., 10, 2003
2XYH
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BU of 2xyh by Molmil
Caspase-3:CAS60254719
Descriptor: 5-CHLORO-4-OXOPENTANOIC ACID, CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17
Authors:Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R.
Deposit date:2010-11-17
Release date:2011-08-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:In Silico Identification and Crystal Structure Validation of Caspase-3 Inhibitors without a P1 Aspartic Acid Moiety.
Acta Crystallogr.,Sect.F, 67, 2011
2XYP
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BU of 2xyp by Molmil
Caspase-3:CAS26049945
Descriptor: CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17, PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE
Authors:Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R.
Deposit date:2010-11-18
Release date:2011-08-17
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:In Silico Identification and Crystal Structure Validation of Caspase-3 Inhibitors without a P1 Aspartic Acid Moiety.
Acta Crystallogr.,Sect.F, 67, 2011
2XYG
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Caspase-3:CAS329306
Descriptor: CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17, N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide
Authors:Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R.
Deposit date:2010-11-17
Release date:2011-08-17
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:In Silico Identification and Crystal Structure Validation of Caspase-3 Inhibitors without a P1 Aspartic Acid Moiety.
Acta Crystallogr.,Sect.F, 67, 2011
2C2Z
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Crystal structure of caspase-8 in complex with aza-peptide Michael acceptor inhibitor
Descriptor: AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL) -14-[4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOYL] -11-[(1R)-1-HYDROXYETHYL]-5-(2-METHYLPROPYL)-3,6,9,12-TETRAOXO -1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN-16-OIC ACID, ...
Authors:Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A.J, Mikolajczyk, J, Salvesen, G.S, Powers, J.C, Gruetter, M.G.
Deposit date:2005-10-02
Release date:2006-09-20
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
2C2M
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BU of 2c2m by Molmil
Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.
Descriptor: AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-14-[4-(BENZYLOXY)-4-OXOBUTANOYL]-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14 -PENTAAZAHEXADECAN-16-OIC ACID, ...
Authors:Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A, Mikolajczyk, J, Salvesen, G.S, Gruetter, M.G, Powers, J.C.
Deposit date:2005-09-29
Release date:2006-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
2C2O
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Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.
Descriptor: AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-14-{4-[BENZYL(METHYL) AMINO]-4-OXOBUTANOYL}-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN-16-OIC ACID, ...
Authors:Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A, Mikolajczyk, J, Salvesen, G.S, Gruetter, M.G, Powers, J.C.
Deposit date:2005-09-29
Release date:2006-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
2C2K
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Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.
Descriptor: AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-14-(4-ETHOXY-4-OXOBUTANOYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN -16-OIC ACID, ...
Authors:Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A.J, Mikolajczyk, J, Salvesen, G.S, Gruetter, M.G, Powers, J.C.
Deposit date:2005-09-29
Release date:2006-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
2CJX
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Extended substrate recognition in caspase-3 revealed by high resolution X-ray structure analysis
Descriptor: CASPASE-3, PHQ-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE
Authors:Ganesan, R, Mittl, P.R.E, Jelakovic, S, Grutter, M.G.
Deposit date:2006-04-09
Release date:2006-06-27
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Extended Substrate Recognition in Caspase-3 Revealed by High Resolution X-Ray Structure Analysis
J.Mol.Biol., 359, 2006
2CJY
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BU of 2cjy by Molmil
Extended substrate recognition in caspase-3 revealed by high resolution X-ray structure analysis
Descriptor: CASPASE-3, PHQ-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE
Authors:Ganesan, R, Mittl, P.R.E, Jelakovic, S, Grutter, M.G.
Deposit date:2006-04-09
Release date:2006-06-27
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Extended Substrate Recognition in Caspase-3 Revealed by High Resolution X-Ray Structure Analysis
J.Mol.Biol., 359, 2006
2CNO
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Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors.
Descriptor: Aza-peptide epoxide, Caspase-3
Authors:Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Grutter, M.G.
Deposit date:2006-05-22
Release date:2007-05-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors
Biochemistry, 45, 2006
2CDR
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BU of 2cdr by Molmil
Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors.
Descriptor: AZA-PEPTIDE EXPOXIDE, CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17
Authors:Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Gruetter, M.G.
Deposit date:2006-01-27
Release date:2007-03-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors.
Biochemistry, 45, 2006
2CNK
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BU of 2cnk by Molmil
Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors.
Descriptor: AZA-PEPTIDE EXPOXIDE, CASPASE-3 P12 SUBUNIT, CASPASE-3 P17 SUBUNIT
Authors:Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Grutter, M.G.
Deposit date:2006-05-22
Release date:2007-05-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors
Biochemistry, 45, 2006
2CNL
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Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors.
Descriptor: AZA-PEPTIDE EPOXIDE, CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17
Authors:Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Grutter, M.G, Powers, J.C.
Deposit date:2006-05-22
Release date:2007-05-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors
Biochemistry, 45, 2006
2CNN
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BU of 2cnn by Molmil
Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors.
Descriptor: AZA-PEPTIDE EXPOXIDE, Caspase-3
Authors:Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Grutter, M.G.
Deposit date:2006-05-22
Release date:2007-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors
Biochemistry, 45, 2006

 

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