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3NV7
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BU of 3nv7 by Molmil
Crystal structure of H.pylori phosphopantetheine adenylyltransferase mutant I4V/N76Y
Descriptor: ACETIC ACID, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Chen, C.H, Cheng, C.S, Yin, H.S.
Deposit date:2010-07-08
Release date:2011-07-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of H.pylori phosphopantetheine adenylyltransferase mutant I4V/N76Y
To be Published
1JOE
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BU of 1joe by Molmil
Crystal Structure of Autoinducer-2 Production Protein (LuxS) from Heamophilus influenzae
Descriptor: AUTOINDUCER-2 PRODUCTION PROTEIN, MERCURY (II) ION, ZINC ION
Authors:Chen, C.C.H, Parsons, J.F, Lim, K, Lehmann, C, Tempczyk, A, Eisenstein, E, Herzberg, O, Structure 2 Function Project (S2F)
Deposit date:2001-07-27
Release date:2001-08-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:CRYSTAL STRUCTURE OF AUTOINDUCER-2 PRODUCTION PROTEIN (LUXS) FROM HEAMOPHILUS INFLUENZAE--A CASE OF TWINNED CRYSTAL
To be Published
1M32
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BU of 1m32 by Molmil
Crystal Structure of 2-aminoethylphosphonate Transaminase
Descriptor: 2-aminoethylphosphonate-pyruvate aminotransferase, PHOSPHATE ION, PHOSPHONOACETALDEHYDE, ...
Authors:Chen, C.C.H, Zhang, H, Kim, A.D, Howard, A, Sheldrick, G.M, Mariano-Dunnaway, D, Herzberg, O.
Deposit date:2002-06-26
Release date:2002-11-20
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Degradation Pathway of the Phosphonate Ciliatine: Crystal Structure of 2-Aminoethylphosphonate Transaminase
Biochemistry, 41, 2002
2HJP
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BU of 2hjp by Molmil
Crystal Structure of Phosphonopyruvate Hydrolase Complex with Phosphonopyruvate and Mg++
Descriptor: CHLORIDE ION, MAGNESIUM ION, PHOSPHONOPYRUVATE, ...
Authors:Chen, C.C.H, Herzberg, O.
Deposit date:2006-06-30
Release date:2006-10-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Kinetics of Phosphonopyruvate Hydrolase from Voriovorax sp. Pal2: New Insight into the Divergence of Catalysis within the PEP Mutase/Isocitrate Lyase Superfamily
Biochemistry, 45, 2006
2HRW
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BU of 2hrw by Molmil
Crystal Structure of Phosphonopyruvate Hydrolase
Descriptor: CHLORIDE ION, Phosphonopyruvate hydrolase, SODIUM ION
Authors:Chen, C.C.H, Herzberg, O.
Deposit date:2006-07-20
Release date:2006-10-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Kinetics of Phosphonopyruvate Hydrolase from Voriovorax sp. Pal2: New Insight into the Divergence of Catalysis within the PEP Mutase/Isocitrate Lyase Superfamily
Biochemistry, 45, 2006
2LA1
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BU of 2la1 by Molmil
Expression in Pichia pastoris and backbone dynamics of dendroaspin, a three finger toxin
Descriptor: Mambin
Authors:Chuang, W.J, Cheng, C.H, Chen, Y.C, Shiu, J.H.
Deposit date:2011-03-01
Release date:2012-03-07
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Dynamics and functional differences between dendroaspin and rhodostomin: Insights into protein scaffolds in integrin recognition
Protein Sci., 21, 2012
1BLH
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BU of 1blh by Molmil
STRUCTURE OF A PHOSPHONATE-INHIBITED BETA-LACTAMASE. AN ANALOG OF THE TETRAHEDRAL TRANSITION STATE(SLASH)INTERMEDIATE OF BETA-LACTAM HYDROLYSIS
Descriptor: BETA-LACTAMASE, [[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE
Authors:Chen, C.C.H, Herzberg, O.
Deposit date:1993-09-30
Release date:1994-08-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a phosphonate-inhibited beta-lactamase. An analog of the tetrahedral transition state/intermediate of beta-lactam hydrolysis.
J.Mol.Biol., 234, 1993
1BLC
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BU of 1blc by Molmil
INHIBITION OF BETA-LACTAMASE BY CLAVULANATE: TRAPPED INTERMEDIATES IN CRYOCRYSTALLOGRAPHIC STUDIES
Descriptor: BETA-LACTAMASE, N-(1-CARBOXY-2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-CISPROPENYL)AMINE, N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE, ...
Authors:Chen, C.C.H, Herzberg, O.
Deposit date:1993-09-27
Release date:1994-01-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibition of beta-lactamase by clavulanate. Trapped intermediates in cryocrystallographic studies.
J.Mol.Biol., 224, 1992
4AUA
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BU of 4aua by Molmil
Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6)
Descriptor: 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone, CYCLIN-DEPENDENT KINASE 6
Authors:Cho, Y.S, Angove, H, Brain, C, Chen, C.H.T, Cheng, R, Chopra, R, Chung, K, Congreve, M, Dagostin, C, Davis, D, Feltell, R, Giraldes, J, Hiscock, S, Kim, S, Kovats, S, Lagu, B, Lewry, K, Loo, A, Lu, Y, Luzzio, M, Maniara, W, Mcmenamin, R, Mortenson, P, Benning, R, O'Reilly, M, Rees, D, Shen, J, Smith, T, Wang, Y, Williams, G, Woolford, A, Wrona, W, Xu, M, Yang, F, Howard, S.
Deposit date:2012-05-15
Release date:2013-02-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
6KYC
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BU of 6kyc by Molmil
Structure of the S207A mutant of Clostridium difficile sortase B
Descriptor: Putative peptidase C60B, sortase B
Authors:Kang, C.Y, Huang, I.H, Wu, T.Y, Chang, J.C, Hsiao, Y.Y, Cheng, C.H, Tsai, W.J, Hsu, K.C, Wang, S.Y.
Deposit date:2019-09-17
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Functional analysis ofClostridium difficilesortase B reveals key residues for catalytic activity and substrate specificity.
J.Biol.Chem., 295, 2020
6KYD
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BU of 6kyd by Molmil
Structure of the R217A mutant of Clostridium difficile sortase B
Descriptor: Putative peptidase C60B, sortase B
Authors:Kang, C.Y, Huang, I.H, Wu, T.Y, Chang, J.C, Hsiao, Y.Y, Cheng, C.H, Tsai, W.J, Hsu, K.C, Wang, S.Y.
Deposit date:2019-09-18
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Functional analysis ofClostridium difficilesortase B reveals key residues for catalytic activity and substrate specificity.
J.Biol.Chem., 295, 2020
2JG7
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BU of 2jg7 by Molmil
Crystal structure of Seabream Antiquitin and Elucidation of its substrate specificity
Descriptor: ANTIQUITIN, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Tang, W.K, Wong, K.B, Cha, S.S, Lee, H.S, Cheng, C.H.K, Fong, W.P.
Deposit date:2007-02-09
Release date:2008-05-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:The Crystal Structure of Seabream Antiquitin Reveals the Structural Basis of its Substrate Specificity.
FEBS Lett., 582, 2008
4U86
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BU of 4u86 by Molmil
Human Pin1 with cysteine sulfonic acid 113
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Li, W, Zhang, Y.
Deposit date:2014-08-01
Release date:2015-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
4U84
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BU of 4u84 by Molmil
Human Pin1 with S-hydroxyl-cysteine 113
Descriptor: POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Li, W, Zhang, Y.
Deposit date:2014-08-01
Release date:2015-04-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
1KGF
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BU of 1kgf by Molmil
STRUCTURE OF BETA-LACTAMASE ASN 170 GLN MUTANT
Descriptor: BETA-LACTAMASE
Authors:Chen, C.C.H, Zawadzke, L.E, Herzberg, O.
Deposit date:1996-10-17
Release date:1997-03-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Elimination of the hydrolytic water molecule in a class A beta-lactamase mutant: crystal structure and kinetics.
Biochemistry, 35, 1996
1KGE
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BU of 1kge by Molmil
STRUCTURE OF BETA-LACTAMASE ASN 170 MET MUTANT
Descriptor: BETA-LACTAMASE
Authors:Chen, C.C.H, Zawadzke, L.E, Herzberg, O.
Deposit date:1996-10-17
Release date:1997-04-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Elimination of the hydrolytic water molecule in a class A beta-lactamase mutant: crystal structure and kinetics.
Biochemistry, 35, 1996
2LCT
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BU of 2lct by Molmil
Solution structure of the Vav1 SH2 domain complexed with a Syk-derived doubly phosphorylated peptide
Descriptor: Proto-oncogene vav, Tyrosine-protein kinase SYK
Authors:Chen, C, Gorenstein, N, Post, C.
Deposit date:2011-05-09
Release date:2011-06-01
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Two closely spaced tyrosines regulate NFAT signaling in B cells via Syk association with Vav.
Mol.Cell.Biol., 31, 2011
2MC1
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BU of 2mc1 by Molmil
Solution structure of the Vav1 SH2 domain complexed with a Syk-derived singly phosphorylated peptide
Descriptor: Proto-oncogene vav, Tyrosine-protein kinase SYK
Authors:Chen, C, Piraner, D, Gorenstein, N.M, Geahlen, R.L, Post, C.B.
Deposit date:2013-08-13
Release date:2013-08-28
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Differential recognition of syk-binding sites by each of the two phosphotyrosine-binding pockets of the Vav SH2 domain.
Biopolymers, 99, 2013
4U85
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BU of 4u85 by Molmil
Human Pin1 with cysteine sulfinic acid 113
Descriptor: POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Li, W, Zhang, Y.
Deposit date:2014-08-01
Release date:2015-04-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
1KGG
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BU of 1kgg by Molmil
STRUCTURE OF BETA-LACTAMASE GLU166GLN:ASN170ASP MUTANT
Descriptor: PROTEIN (BETA-LACTAMASE), SULFATE ION
Authors:Chen, C.C.H, Herzberg, O.
Deposit date:1999-05-20
Release date:1999-05-28
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Relocation of the catalytic carboxylate group in class A beta-lactamase: the structure and function of the mutant enzyme Glu166-->Gln:Asn170-->Asp.
Protein Eng., 12, 1999
1DJC
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BU of 1djc by Molmil
STRUCTURE OF BETA-LACTAMASE PRECURSOR, S70A MUTANT, AT 120K
Descriptor: BETA-LACTAMASE, SULFATE ION
Authors:Chen, C.C.H, Herzberg, O.
Deposit date:1996-08-13
Release date:1997-03-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and kinetics of the beta-lactamase mutants S70A and K73H from Staphylococcus aureus PC1.
Biochemistry, 35, 1996
1DJA
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BU of 1dja by Molmil
STRUCTURE OF BETA-LACTAMASE PRECURSOR, K73H MUTANT, AT 298K
Descriptor: BETA-LACTAMASE
Authors:Chen, C.C.H, Herzberg, O.
Deposit date:1996-08-13
Release date:1997-03-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and kinetics of the beta-lactamase mutants S70A and K73H from Staphylococcus aureus PC1.
Biochemistry, 35, 1996
1DJB
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BU of 1djb by Molmil
STRUCTURE OF BETA-LACTAMASE PRECURSOR, S70A MUTANT, AT 298K
Descriptor: BETA-LACTAMASE
Authors:Chen, C.C.H, Herzberg, O.
Deposit date:1996-08-13
Release date:1997-03-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and kinetics of the beta-lactamase mutants S70A and K73H from Staphylococcus aureus PC1.
Biochemistry, 35, 1996
1GHM
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BU of 1ghm by Molmil
Structures of the acyl-enzyme complex of the staphylococcus aureus beta-lactamase mutant GLU166ASP:ASN170GLN with degraded cephaloridine
Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, BETA-LACTAMASE, CARBONATE ION, ...
Authors:Chen, C.C.H, Herzberg, O.
Deposit date:2000-12-19
Release date:2001-04-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structures of the acyl-enzyme complexes of the Staphylococcus aureus beta-lactamase mutant Glu166Asp:Asn170Gln with benzylpenicillin and cephaloridine.
Biochemistry, 40, 2001
1GHP
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BU of 1ghp by Molmil
STRUCTURES OF THE ACYL-ENZYME COMPLEX OF THE STAPHYLOCOCCUS AUREUS BETA-LACTAMASE MUTANT GLU166ASP:ASN170GLN WITH DEGRADED BENZYLPENICILLIN
Descriptor: BETA-LACTAMASE, OPEN FORM - PENICILLIN G, SULFATE ION
Authors:Chen, C.C.H, Herzberg, O.
Deposit date:2000-12-21
Release date:2001-04-04
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structures of the acyl-enzyme complexes of the Staphylococcus aureus beta-lactamase mutant Glu166Asp:Asn170Gln with benzylpenicillin and cephaloridine.
Biochemistry, 40, 2001

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