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121D
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BU of 121d by Molmil
MOLECULAR STRUCTURE OF THE A-TRACT DNA DODECAMER D(CGCAAATTTGCG) COMPLEXED WITH THE MINOR GROOVE BINDING DRUG NETROPSIN
Descriptor: DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), NETROPSIN
Authors:Tabernero, L, Verdaguer, N, Coll, M, Fita, I, Van Der Marel, G.A, Van Boom, J.H, Rich, A, Aymami, J.
Deposit date:1993-04-14
Release date:1994-01-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular structure of the A-tract DNA dodecamer d(CGCAAATTTGCG) complexed with the minor groove binding drug netropsin.
Biochemistry, 32, 1993
1AHR
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BU of 1ahr by Molmil
CALMODULIN MUTANT WITH A TWO RESIDUE DELETION IN THE CENTRAL HELIX
Descriptor: CALCIUM ION, CALMODULIN
Authors:Tabernero, L, Sack, J.
Deposit date:1997-04-10
Release date:1997-06-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of a calmodulin mutant with a deletion in the central helix: implications for molecular recognition and protein binding.
Structure, 5, 1997
1C0E
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BU of 1c0e by Molmil
Active Site S19A Mutant of Bovine Heart Phosphotyrosyl Phosphatase
Descriptor: PHOSPHATE ION, PROTEIN (TYROSINE PHOSPHATASE (ORTHOPHOSPHORIC MONOESTER PHOSPHOHYDROLASE))
Authors:Tabernero, L, Evans, B.N, Tishmack, P.A, Van Etten, R.L, Stauffacher, C.V.
Deposit date:1999-07-15
Release date:1999-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of the bovine protein tyrosine phosphatase dimer reveals a potential self-regulation mechanism.
Biochemistry, 38, 1999
1T02
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BU of 1t02 by Molmil
Crystal structure of a Statin bound to class II HMG-CoA reductase
Descriptor: (3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION
Authors:Tabernero, L, Rodwell, V.W, Stauffacher, C.
Deposit date:2004-04-07
Release date:2004-08-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a statin bound to a class II hydroxymethylglutaryl-CoA reductase.
J.Biol.Chem., 278, 2003
1HDT
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BU of 1hdt by Molmil
STRUCTURE OF A RETRO-BINDING PEPTIDE INHIBITOR COMPLEXED WITH HUMAN ALPHA-THROMBIN
Descriptor: ALPHA-THROMBIN, HIRUGEN PEPTIDE, methyl N-(4-carbamimidamidobutanoyl)-L-phenylalanyl-L-allothreonyl-L-phenylalaninate
Authors:Tabernero, L, Sack, J.
Deposit date:1994-07-25
Release date:1995-10-15
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of a retro-binding peptide inhibitor complexed with human alpha-thrombin.
J.Mol.Biol., 246, 1995
1QAY
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BU of 1qay by Molmil
TERNARY COMPLEX OF PSEUDOMONAS MEVALONII HMG-COA REDUCTASE WITH MEVALONATE AND NAD+
Descriptor: (R)-MEVALONATE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (3-HYDROXY-3-METHYLGLUTARYL-COENZYME A REDUCTASE)
Authors:Tabernero, L, Bochar, D.A, Rodwell, V.W, Stauffacher, C.V.
Deposit date:1999-04-07
Release date:1999-06-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Substrate-induced closure of the flap domain in the ternary complex structures provides insights into the mechanism of catalysis by 3-hydroxy-3-methylglutaryl-CoA reductase.
Proc.Natl.Acad.Sci.USA, 96, 1999
1QAX
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BU of 1qax by Molmil
TERNARY COMPLEX OF PSEUDOMONAS MEVALONII HMG-COA REDUCTASE WITH HMG-COA AND NAD+
Descriptor: 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (3-HYDROXY-3-METHYLGLUTARYL-COENZYME A REDUCTASE)
Authors:Tabernero, L, Bochar, D.A, Rodwell, V.W, Stauffacher, C.V.
Deposit date:1999-04-06
Release date:1999-06-18
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Substrate-induced closure of the flap domain in the ternary complex structures provides insights into the mechanism of catalysis by 3-hydroxy-3-methylglutaryl-CoA reductase.
Proc.Natl.Acad.Sci.USA, 96, 1999
2UXS
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BU of 2uxs by Molmil
2.7A crystal structure of inorganic pyrophosphatase (Rv3628) from Mycobacterium tuberculosis at pH 7.5
Descriptor: INORGANIC PYROPHOSPHATASE, PHOSPHATE ION
Authors:Cole, R.E, Cianci, M, Hall, J.F, Matsuda, T, Kigawa, T, Yokoyama, S, Hasnain, S.S, Tabernero, L.
Deposit date:2007-03-29
Release date:2008-05-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Rv3628: An Inorganic Pyrophosphatase from Mycobacterium Tuberculosis
To be Published
2ZMC
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BU of 2zmc by Molmil
Crystal structure of human mitotic checkpoint kinase Mps1 catalytic domain apo form
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK
Authors:Chu, M.L.H, Chavas, L.M.G, Douglas, K.T, Eyers, P.A, Tabernero, L.
Deposit date:2008-04-16
Release date:2008-05-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Crystal structure of the catalytic domain of the mitotic checkpoint kinase Mps1 in complex with SP600125.
J.Biol.Chem., 283, 2008
2ZMD
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BU of 2zmd by Molmil
Crystal structure of human Mps1 catalytic domain T686A mutant in complex with SP600125 inhibitor
Descriptor: 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK
Authors:Chu, M.L.H, Chavas, L.M.G, Douglas, K.T, Eyers, P.A, Tabernero, L.
Deposit date:2008-04-16
Release date:2008-05-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Crystal structure of the catalytic domain of the mitotic checkpoint kinase Mps1 in complex with SP600125.
J.Biol.Chem., 283, 2008
1D1P
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BU of 1d1p by Molmil
CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LTP1)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, TYROSINE PHOSPHATASE
Authors:Wang, S, Tabernero, L, Zhang, M, Harms, E, Van Etten, R.L, Stauffacher, C.V.
Deposit date:1999-09-20
Release date:2000-03-08
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of a low-molecular weight protein tyrosine phosphatase from Saccharomyces cerevisiae and its complex with the substrate p-nitrophenyl phosphate.
Biochemistry, 39, 2000
1D1Q
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BU of 1d1q by Molmil
CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LTP1) COMPLEXED WITH THE SUBSTRATE PNPP
Descriptor: 4-NITROPHENYL PHOSPHATE, GLYCEROL, PHOSPHATE ION, ...
Authors:Wang, S, Tabernero, L, Zhang, M, Harms, E, Van Etten, R.L, Staufacher, C.V.
Deposit date:1999-09-20
Release date:2000-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of a low-molecular weight protein tyrosine phosphatase from Saccharomyces cerevisiae and its complex with the substrate p-nitrophenyl phosphate.
Biochemistry, 39, 2000
3HMN
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BU of 3hmn by Molmil
Crystal structure of human Mps1 catalytic domain in complex with ATP
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity protein kinase TTK
Authors:Chu, M.L.H, Chavas, L.M.G, Williams, D.H, Tabernero, L, Eyers, P.A.
Deposit date:2009-05-29
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Biophysical and X-ray crystallographic analysis of Mps1 kinase inhibitor complexes.
Biochemistry, 49, 2010
3HMO
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BU of 3hmo by Molmil
Crystal structure of human Mps1 catalytic domain in complex with the inhibitor staurosporine
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK, GLYCEROL, ...
Authors:Chu, M.L.H, Chavas, L.M.G, Williams, D.H, Tabernero, L, Eyers, P.A.
Deposit date:2009-05-29
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Biophysical and X-ray crystallographic analysis of Mps1 kinase inhibitor complexes.
Biochemistry, 49, 2010
3HMP
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BU of 3hmp by Molmil
Crystal structure of human Mps1 catalytic domain in complex with a quinazolin ligand Compound 4
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 7-chloro-N-(cyclopropylmethyl)quinazolin-4-amine, DI(HYDROXYETHYL)ETHER, ...
Authors:Chu, M.L.H, Chavas, L.M.G, Williams, D.H, Tabernero, L, Eyers, P.A.
Deposit date:2009-05-29
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Biophysical and X-ray crystallographic analysis of Mps1 kinase inhibitor complexes.
Biochemistry, 49, 2010
1R7I
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BU of 1r7i by Molmil
HMG-CoA Reductase from P. mevalonii, native structure at 2.2 angstroms resolution.
Descriptor: 3-hydroxy-3-methylglutaryl-coenzyme A reductase, GLYCEROL, SULFATE ION
Authors:Watson, J.M, Steussy, C.N, Burgner, J.W, Lawrence, C.M, Tabernero, L, Rodwell, V.W, Stauffacher, C.V.
Deposit date:2003-10-21
Release date:2003-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural Investigations of the Basis for Stereoselectivity from the Binary Complex of HMG-COA Reductase.
To be Published
1R31
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BU of 1r31 by Molmil
HMG-CoA reductase from Pseudomonas mevalonii complexed with HMG-CoA
Descriptor: (R)-MEVALONATE, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, COENZYME A, ...
Authors:Watson, J.M, Steussy, C.N, Burgner, J.W, Lawrence, C.M, Tabernero, L, Rodwell, V.W, Stauffacher, C.V.
Deposit date:2003-09-30
Release date:2003-10-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Investigations of the Basis for Stereoselectivity from the Binary Complex of HMG-CoA Reductase.
To be Published
1BMN
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BU of 1bmn by Molmil
HUMAN ALPHA-THROMBIN COMPLEXED WITH [S-(R*,R*)]-1-(AMINOIMINOMETHYL)-N-[[1-[N-[(2-NAPHTHALENYLSULFONYL)-L-SERYL]-PYRROLIDINYL]METHYL]-3-PIPERIDENECARBOXAMIDE (BMS-189090)
Descriptor: ALPHA-THROMBIN, HIRUDIN I, [S-(R*,R*)]-1-(AMINOIMINOMETHYL)-N-[[1-[N-[(2-NAPHTHALENYLSULFONYL)-L-SERYL]-3-PYRROLIDINYL]METHYL]-3-PIPERIDENECARBOXAMIDE
Authors:Malley, M, Sack, J.
Deposit date:1995-11-14
Release date:1996-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic determination of the structures of human alpha-thrombin complexed with BMS-186282 and BMS-189090.
Protein Sci., 5, 1996
1BMM
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BU of 1bmm by Molmil
HUMAN ALPHA-THROMBIN COMPLEXED WITH [S-(R*,R*)]-4-[(AMINOIMINOMETHYL)AMINO]-N-[[1-[3-HYDROXY-2-[(2-NAPHTHALENYLSULFONYL)AMINO]-1-OXOPROPYL]-2-PYRROLIDINYL] METHYL]BUTANAMIDE (BMS-186282)
Descriptor: ALPHA-THROMBIN, HIRUDIN I, S-(R*,R*)]-4-[AMINOIMINOMETHYL)AMINO]-N-[[1-[3-HYDROXY -2-[(2-NAPHTHALENYLSULFONYL)AMINO]-1-OXOPROPYL]-2-PYRROLIDINYL] METHYL]BUTANAMIDE
Authors:Malley, M, Sack, J.
Deposit date:1995-11-14
Release date:1996-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystallographic determination of the structures of human alpha-thrombin complexed with BMS-186282 and BMS-189090.
Protein Sci., 5, 1996
6EOA
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BU of 6eoa by Molmil
Crystal Structure of HAL3 from Cryptococcus neoformans
Descriptor: FLAVIN MONONUCLEOTIDE, Phosphopantothenoylcysteine decarboxylase
Authors:Reverter, D, Zhang, C, Molero, C, Arino, J.
Deposit date:2017-10-09
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Characterization of the atypical Ppz/Hal3 phosphatase system from the pathogenic fungus Cryptococcus neoformans.
Mol.Microbiol., 111, 2019
6Y2V
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BU of 6y2v by Molmil
Crystal structure of the double mutant L13R I16K of Low Molecular Weight Protein Tyrosine Phosphatase (LMW-PTP)
Descriptor: Low molecular weight phosphotyrosine protein phosphatase, PHOSPHATE ION, TRIETHYLENE GLYCOL
Authors:Levy, C.
Deposit date:2020-02-17
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Computational and structure-guided design of phosphoinositide substrate specificity into the tyrosine specific LMW-PTP enzyme.
Plos One, 15, 2020
6Y2W
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BU of 6y2w by Molmil
Crystal structure of the single mutant I16K of Low Molecular Weight Protein Tyrosine Phosphatase (LMW-PTP)
Descriptor: ACETATE ION, Low molecular weight phosphotyrosine protein phosphatase
Authors:Levy, C.
Deposit date:2020-02-17
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Computational and structure-guided design of phosphoinositide substrate specificity into the tyrosine specific LMW-PTP enzyme.
Plos One, 15, 2020
5MJY
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BU of 5mjy by Molmil
Crystal structure of the His Domain Protein Tyrosine Phosphatase (HD-PTP/PTPN23) Bro1 domain (SARA complex structure)
Descriptor: Tyrosine-protein phosphatase non-receptor type 23, Zinc finger FYVE domain-containing protein 9
Authors:Levy, C, Gahloth, D.
Deposit date:2016-12-02
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Basis for Specific Interaction of TGF beta Signaling Regulators SARA/Endofin with HD-PTP.
Structure, 25, 2017
5MK1
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BU of 5mk1 by Molmil
Crystal structure of the His Domain Protein Tyrosine Phosphatase (HD-PTP/PTPN23) Bro1 domain (CHMP4A peptide complex structure)
Descriptor: Charged multivesicular body protein 4a, Tyrosine-protein phosphatase non-receptor type 23
Authors:Levy, C, Gahloth, D.
Deposit date:2016-12-02
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Specific Interaction of TGF beta Signaling Regulators SARA/Endofin with HD-PTP.
Structure, 25, 2017
5MJZ
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BU of 5mjz by Molmil
Crystal structure of the His Domain Protein Tyrosine Phosphatase (HD-PTP/PTPN23) Bro1 domain (Apo structure)
Descriptor: Tyrosine-protein phosphatase non-receptor type 23
Authors:Levy, C, Gahloth, D.
Deposit date:2016-12-02
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.867 Å)
Cite:Structural Basis for Specific Interaction of TGF beta Signaling Regulators SARA/Endofin with HD-PTP.
Structure, 25, 2017

 

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