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1F1B
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BU of 1f1b by Molmil
CRYSTAL STRUCTURE OF E. COLI ASPARTATE TRANSCARBAMOYLASE P268A MUTANT IN THE R-STATE IN THE PRESENCE OF N-PHOSPHONACETYL-L-ASPARTATE
Descriptor: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN, ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, ...
Authors:Jin, L, Stec, B, Kantrowitz, E.R.
Deposit date:2000-05-18
Release date:2000-11-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A cis-proline to alanine mutant of E. coli aspartate transcarbamoylase: kinetic studies and three-dimensional crystal structures.
Biochemistry, 39, 2000
1PZU
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BU of 1pzu by Molmil
An asymmetric NFAT1-RHR homodimer on a pseudo-palindromic, Kappa-B site
Descriptor: 5'-D(*AP*AP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*TP*C)-3', 5'-D(*TP*TP*GP*AP*GP*GP*AP*AP*TP*TP*TP*CP*CP*A)-3', Nuclear factor of activated T-cells, ...
Authors:Jin, L, Sliz, P, Chen, L, Macian, F, Rao, A, Hogan, P.G, Harrison, S.C.
Deposit date:2003-07-14
Release date:2003-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:An asymmetric NFAT1 dimer on a pseudo-palindromic KB-like DNA site
Nat.Struct.Biol., 10, 2003
1AZX
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BU of 1azx by Molmil
ANTITHROMBIN/PENTASACCHARIDE COMPLEX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside, ANTITHROMBIN
Authors:Jin, L, Abrahams, J.P, Skinner, R, Petitou, M, Pike, R.N, Carrell, R.W.
Deposit date:1997-11-23
Release date:1999-01-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The anticoagulant activation of antithrombin by heparin.
Proc.Natl.Acad.Sci.USA, 94, 1997
1D09
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BU of 1d09 by Molmil
ASPARTATE TRANSCARBAMOYLASE COMPLEXED WITH N-PHOSPHONACETYL-L-ASPARTATE (PALA)
Descriptor: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN, ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, ...
Authors:Jin, L, Stec, B, Lipscomb, W.N, Kantrowitz, E.R.
Deposit date:1999-09-09
Release date:2000-01-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into the mechanisms of catalysis and heterotropic regulation of Escherichia coli aspartate transcarbamoylase based upon a structure of the enzyme complexed with the bisubstrate analogue N-phosphonacetyl-L-aspartate at 2.1 A.
Proteins, 37, 1999
1U59
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BU of 1u59 by Molmil
Crystal Structure of the ZAP-70 Kinase Domain in Complex with Staurosporine
Descriptor: STAUROSPORINE, Tyrosine-protein kinase ZAP-70
Authors:Jin, L, Pluskey, S, Petrella, E.C, Cantin, S.M, Gorga, J.C, Rynkiewicz, M.J, Pandey, P, Strickler, J.E, Babine, R.E, Weaver, D.T, Seidl, K.J.
Deposit date:2004-07-27
Release date:2004-08-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Three-dimensional Structure of the ZAP-70 Kinase Domain in Complex with Staurosporine: IMPLICATIONS FOR THE DESIGN OF SELECTIVE INHIBITORS
J.Biol.Chem., 279, 2004
1ET1
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BU of 1et1 by Molmil
CRYSTAL STRUCTURE OF HUMAN PARATHYROID HORMONE 1-34 AT 0.9 A RESOLUTION
Descriptor: PARATHYROID HORMONE, SODIUM ION
Authors:Jin, L, Briggs, S.L, Chandrasekhar, S, Chirgadze, N.Y, Clawson, D.K, Schevitz, R.W, Smiley, D.L, Tashjian, A.H, Zhang, F.
Deposit date:2000-04-12
Release date:2000-09-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Crystal structure of human parathyroid hormone 1-34 at 0.9-A resolution.
J.Biol.Chem., 275, 2000
1EZZ
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BU of 1ezz by Molmil
CRYSTAL STRUCTURE OF E. COLI ASPARTATE TRANSCARBAMOYLASE P268A MUTANT IN THE T-STATE
Descriptor: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN, ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, ZINC ION
Authors:Jin, L, Stec, B, Kantrowitz, E.R.
Deposit date:2000-05-12
Release date:2000-11-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A cis-proline to alanine mutant of E. coli aspartate transcarbamoylase: kinetic studies and three-dimensional crystal structures.
Biochemistry, 39, 2000
1MF8
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BU of 1mf8 by Molmil
Crystal Structure of human calcineurin complexed with cyclosporin A and human cyclophilin
Descriptor: CALCINEURIN B SUBUNIT ISOFORM 1, CALCIUM ION, CALMODULIN-DEPENDENT CALCINEURIN A SUBUNIT, ...
Authors:Jin, L, Harrison, S.C.
Deposit date:2002-08-09
Release date:2002-10-16
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of Human Calcineurin Complexed with Cyclosporin a and Human Cyclophilin
Proc.Natl.Acad.Sci.USA, 99, 2002
3CMO
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BU of 3cmo by Molmil
HIV neutralizing monoclonal antibody YZ18
Descriptor: Fab heavy chain, Fab light chain
Authors:Jin, L, Prasad, V, Paul, S.
Deposit date:2008-03-24
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:HIV neutralizing monoclonal antibody YZ18
TO BE PUBLISHED
3GLT
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BU of 3glt by Molmil
Crystal Structure of Human SIRT3 with ADPR bound to the AceCS2 peptide containing a thioacetyl lysine
Descriptor: Acetyl-coenzyme A synthetase 2-like, mitochondrial, CARBONATE ION, ...
Authors:Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B.
Deposit date:2009-03-12
Release date:2009-06-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
3GLR
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BU of 3glr by Molmil
Crystal Structure of human SIRT3 with acetyl-lysine AceCS2 peptide
Descriptor: Acetyl-coenzyme A synthetase 2-like, mitochondrial, BICARBONATE ION, ...
Authors:Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B.
Deposit date:2009-03-12
Release date:2009-06-16
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
3GLU
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BU of 3glu by Molmil
Crystal Structure of Human SIRT3 with AceCS2 peptide
Descriptor: Acetyl-coenzyme A synthetase 2-like, mitochondrial, NAD-dependent deacetylase sirtuin-3, ...
Authors:Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B.
Deposit date:2009-03-12
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
3GLS
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BU of 3gls by Molmil
Crystal Structure of Human SIRT3
Descriptor: NAD-dependent deacetylase sirtuin-3, mitochondrial, SULFATE ION, ...
Authors:Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B.
Deposit date:2009-03-12
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
1XX9
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BU of 1xx9 by Molmil
Crystal Structure of the FXIa Catalytic Domain in Complex with EcotinM84R
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XI, Ecotin
Authors:Jin, L, Pandey, P, Babine, R.E, Gorga, J.C, Seidl, K.J, Gelfand, E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
Deposit date:2004-11-04
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures of the FXIa Catalytic Domain in Complex with Ecotin Mutants Reveal Substrate-like Interactions
J.Biol.Chem., 280, 2005
1XXD
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BU of 1xxd by Molmil
Crystal Structure of the FXIa Catalytic Domain in Complex with mutated Ecotin
Descriptor: Coagulation factor XI, Ecotin
Authors:Jin, L, Pandey, P, Babine, R.E, Gorga, J.C, Seidl, K.J, Gelfand, E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
Deposit date:2004-11-04
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Crystal Structures of the FXIa Catalytic Domain in Complex with Ecotin Mutants Reveal Substrate-like Interactions
J.Biol.Chem., 280, 2005
1XXF
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BU of 1xxf by Molmil
Crystal Structure of the FXIa Catalytic Domain in Complex with Ecotin Mutant (EcotinP)
Descriptor: Coagulation factor XI, Ecotin, SODIUM ION
Authors:Jin, L, Pandey, P, Babine, R.E, Gorga, J.C, Seidl, K.J, Gelfand, E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
Deposit date:2004-11-04
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of the FXIa Catalytic Domain in Complex with Ecotin Mutants Reveal Substrate-like Interactions
J.Biol.Chem., 280, 2005
1ZHR
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BU of 1zhr by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine (S434A-T475A-C482S-K437A Mutant)
Descriptor: BENZAMIDINE, coagulation factor XI
Authors:Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
Deposit date:2005-04-26
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors.
Acta Crystallogr.,Sect.D, 61, 2005
1ZHP
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BU of 1zhp by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine (S434A-T475A-K505 Mutant)
Descriptor: BENZAMIDINE, GLUTATHIONE, coagulation factor XI
Authors:Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
Deposit date:2005-04-26
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors.
Acta Crystallogr.,Sect.D, 61, 2005
1ZHM
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BU of 1zhm by Molmil
Crystal Structure of the Catalytic Domain of the Coagulation Factor XIa in Complex with Benzamidine (S434A-T475A-K437 Mutant)
Descriptor: BENZAMIDINE, GLUTATHIONE, coagulation factor XI
Authors:Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
Deposit date:2005-04-26
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors.
Acta Crystallogr.,Sect.D, 61, 2005
1AKM
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BU of 1akm by Molmil
ORNITHINE TRANSCARBAMYLASE FROM ESCHERICHIA COLI
Descriptor: ORNITHINE TRANSCARBAMYLASE
Authors:Head, J.F, Seaton, B, Jin, L.
Deposit date:1997-05-23
Release date:1998-05-27
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure at 2.8 A resolution of anabolic ornithine transcarbamylase from Escherichia coli.
Nat.Struct.Biol., 4, 1997
2FDA
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BU of 2fda by Molmil
Crystal Structure of the Catalytic Domain of Human Coagulation Factor XIa in Complex with alpha-Ketothiazole Arginine Derived Ligand
Descriptor: BICARBONATE ION, Coagulation factor XI, N~2~-(AMINOCARBONYL)-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[HYDROXY(1,3-THIAZOL-2-YL)METHYL]BUTYL}VALINAMIDE, ...
Authors:Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
Deposit date:2005-12-13
Release date:2006-04-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
8TBS
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BU of 8tbs by Molmil
Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator AG-946
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-[(6-aminopyridin-2-yl)methyl]-4-methyl-2-[(1H-pyrazol-3-yl)methyl]-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one, MANGANESE (II) ION, ...
Authors:Jin, L, Padyana, A.
Deposit date:2023-06-29
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Based Design of AG-946, a Pyruvate Kinase Activator.
Chemmedchem, 2023
8TBT
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BU of 8tbt by Molmil
Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator Compound 2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Jin, L, Padyana, A.
Deposit date:2023-06-29
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure-Based Design of AG-946, a Pyruvate Kinase Activator.
Chemmedchem, 2023
8TBU
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BU of 8tbu by Molmil
Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator Compound 12
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-[(4-hydroxyphenyl)methyl]-2,4-dimethyl-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one, MANGANESE (II) ION, ...
Authors:Jin, L, Padyana, A.
Deposit date:2023-06-29
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Based Design of AG-946, a Pyruvate Kinase Activator.
Chemmedchem, 2023
7RW5
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Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 1
Descriptor: (3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
Authors:Jin, L, Padyana, A.K.
Deposit date:2021-08-19
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022

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