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7TIM
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BU of 7tim by Molmil
STRUCTURE OF THE TRIOSEPHOSPHATE ISOMERASE-PHOSPHOGLYCOLOHYDROXAMATE COMPLEX: AN ANALOGUE OF THE INTERMEDIATE ON THE REACTION PATHWAY
Descriptor: PHOSPHOGLYCOLOHYDROXAMIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Davenport, R.C, Bash, P.A, Seaton, B.A, Karplus, M, Petsko, G.A, Ringe, D.
Deposit date:1991-04-23
Release date:1993-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the triosephosphate isomerase-phosphoglycolohydroxamate complex: an analogue of the intermediate on the reaction pathway.
Biochemistry, 30, 1991
1YQM
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BU of 1yqm by Molmil
Catalytically inactive human 8-oxoguanine glycosylase crosslinked to 7-deazaguanine containing DNA
Descriptor: 5'-D(P*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*C)-3', 5'-D(P*GP*TP*CP*CP*AP*(7GU)P*GP*TP*CP*TP*AP*C)-3', CALCIUM ION, ...
Authors:Banerjee, A, Yang, W, Karplus, M, Verdine, G.L.
Deposit date:2005-02-02
Release date:2005-04-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a repair enzyme interrogating undamaged DNA elucidates recognition of damaged DNA.
Nature, 434, 2005
1YQR
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BU of 1yqr by Molmil
Catalytically inactive human 8-oxoguanine glycosylase crosslinked to oxoG containing DNA
Descriptor: 5'-D(P*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(P*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*G)-3', CALCIUM ION, ...
Authors:Banerjee, A, Yang, W, Karplus, M, Verdine, G.L.
Deposit date:2005-02-02
Release date:2005-04-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structure of a repair enzyme interrogating undamaged DNA elucidates recognition of damaged DNA.
Nature, 434, 2005
1YQK
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BU of 1yqk by Molmil
Human 8-oxoguanine glycosylase crosslinked with guanine containing DNA
Descriptor: 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*G)-3', 5'-D(P*CP*AP*GP*GP*TP*CP*TP*AP*C)-3', CALCIUM ION, ...
Authors:Banerjee, A, Yang, W, Karplus, M, Verdine, G.L.
Deposit date:2005-02-01
Release date:2005-04-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a repair enzyme interrogating undamaged DNA elucidates recognition of damaged DNA.
Nature, 434, 2005
1YQL
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BU of 1yql by Molmil
Catalytically inactive hOGG1 crosslinked with 7-deaza-8-azaguanine containing DNA
Descriptor: 5'-D(P*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*C)-3', 5'-D(P*GP*TP*CP*CP*AP*(PPW)P*GP*TP*CP*TP*AP*C)-3', CALCIUM ION, ...
Authors:Banerjee, A, Yang, W, Karplus, M, Verdine, G.L.
Deposit date:2005-02-02
Release date:2005-04-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of a repair enzyme interrogating undamaged DNA elucidates recognition of damaged DNA.
Nature, 434, 2005
3EYZ
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BU of 3eyz by Molmil
Cocrystal structure of Bacillus fragment DNA polymerase I with duplex DNA (open form)
Descriptor: 5'-D(*DAP*DTP*DGP*DCP*DGP*DAP*DGP*DTP*DCP*DAP*DGP*DGP*DA)-3', 5'-D(*DCP*DCP*DTP*DGP*DAP*DCP*DTP*DCP*DGP*DC)-3', DNA polymerase I, ...
Authors:Warren, J.J, Wu, E.Y, Golosov, A.A, Karplus, M, Beese, L.S.
Deposit date:2008-10-22
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Mechanism of the Translocation Step in DNA Replication by DNA Polymerase I: A Computer Simulation Analysis.
Structure, 18, 2010
3EZ5
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BU of 3ez5 by Molmil
Cocrystal structure of Bacillus fragment DNA polymerase I with duplex DNA , dCTP, and zinc (closed form).
Descriptor: 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, 5'-D(*DAP*DTP*DTP*DCP*DGP*DAP*DGP*DTP*DCP*DAP*DGP*DG)-3', 5'-D(*DCP*DCP*DTP*DGP*DAP*DCP*DTP*DCP*DG)-3', ...
Authors:Warren, J.J, Wu, E.Y, Golosov, A.A, Karplus, M, Beese, L.S.
Deposit date:2008-10-22
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Mechanism of the Translocation Step in DNA Replication by DNA Polymerase I: A Computer Simulation Analysis.
Structure, 18, 2010
1FKT
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BU of 1fkt by Molmil
SOLUTION STRUCTURE OF FKBP, A ROTAMASE ENZYME AND RECEPTOR FOR FK506 AND RAPAMYCIN
Descriptor: FK506 AND RAPAMYCIN-BINDING PROTEIN
Authors:Michnick, S.W, Rosen, M.K, Wandless, T.J, Karplus, M, Schreiber, S.L.
Deposit date:1992-03-05
Release date:1994-01-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of FKBP, a rotamase enzyme and receptor for FK506 and rapamycin.
Science, 252, 1991
1FKR
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BU of 1fkr by Molmil
SOLUTION STRUCTURE OF FKBP, A ROTAMASE ENZYME AND RECEPTOR FOR FK506 AND RAPAMYCIN
Descriptor: FK506 AND RAPAMYCIN-BINDING PROTEIN
Authors:Michnick, S.W, Rosen, M.K, Wandless, T.J, Karplus, M, Schreiber, S.L.
Deposit date:1992-03-05
Release date:1994-01-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of FKBP, a rotamase enzyme and receptor for FK506 and rapamycin.
Science, 252, 1991
1FKS
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BU of 1fks by Molmil
SOLUTION STRUCTURE OF FKBP, A ROTAMASE ENZYME AND RECEPTOR FOR FK506 AND RAPAMYCIN
Descriptor: FK506 AND RAPAMYCIN-BINDING PROTEIN
Authors:Michnick, S.W, Rosen, M.K, Wandless, T.J, Karplus, M, Schreiber, S.L.
Deposit date:1992-03-05
Release date:1994-01-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of FKBP, a rotamase enzyme and receptor for FK506 and rapamycin.
Science, 252, 1991
1T41
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BU of 1t41 by Molmil
Crystal structure of human aldose reductase complexed with NADP and IDD552
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID
Authors:Ruiz, F, Hazemann, I, Mitschler, A, Chevrier, B, Schneider, T, Joachimiak, A, Karplus, M, Podjarny, A.
Deposit date:2004-04-28
Release date:2004-08-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:The crystallographic structure of the aldose reductase-IDD552 complex shows direct proton donation from tyrosine 48.
Acta Crystallogr.,Sect.D, 60, 2004
1T40
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BU of 1t40 by Molmil
Crystal structure of human aldose reductase complexed with NADP and IDD552 at ph 5
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID
Authors:Ruiz, F, Hazemann, I, Mitschler, A, Chevrier, B, Schneider, T, Joachimiak, A, Karplus, M, Podjarny, A.
Deposit date:2004-04-28
Release date:2004-08-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystallographic structure of the aldose reductase-IDD552 complex shows direct proton donation from tyrosine 48.
Acta Crystallogr.,Sect.D, 60, 2004
1HU0
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BU of 1hu0 by Molmil
CRYSTAL STRUCTURE OF AN HOGG1-DNA BOROHYDRIDE TRAPPED INTERMEDIATE COMPLEX
Descriptor: 5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 8-OXOGUANINE, ...
Authors:Fromme, J.C, Bruner, S.D, Yang, W, Karplus, M, Verdine, G.L.
Deposit date:2001-01-03
Release date:2003-02-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Product-Assisted Catalysis in base-excision DNA Repair
Nat.Struct.Biol., 10, 2003
1JF1
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BU of 1jf1 by Molmil
Crystal structure of HLA-A2*0201 in complex with a decameric altered peptide ligand from the MART-1/Melan-A
Descriptor: HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-2 ALPHA CHAIN, ZINC ION, ...
Authors:Sliz, P, Michielin, O, Cerottini, J.C, Luescher, I, Romero, P, Karplus, M, Wiley, D.C.
Deposit date:2001-06-19
Release date:2001-09-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of two closely related but antigenically distinct HLA-A2/melanocyte-melanoma tumor-antigen peptide complexes.
J.Immunol., 167, 2001
1JHT
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BU of 1jht by Molmil
Crystal structure of HLA-A2*0201 in complex with a nonameric altered peptide ligand (ALGIGILTV) from the MART-1/Melan-A.
Descriptor: HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-2 ALPHA CHAIN, beta-2-microglobulin, ...
Authors:Sliz, P, Michielin, O, Karplus, M, Romero, P, Wiley, D.
Deposit date:2001-06-28
Release date:2001-09-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of two closely related but antigenically distinct HLA-A2/melanocyte-melanoma tumor-antigen peptide complexes.
J.Immunol., 167, 2001
1LWW
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BU of 1lww by Molmil
Borohydride-trapped hOgg1 Intermediate Structure Co-Crystallized with 8-bromoguanine
Descriptor: 5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 8-BROMOGUANINE, ...
Authors:Fromme, J.C, Bruner, S.D, Yang, W, Karplus, M, Verdine, G.L.
Deposit date:2002-06-03
Release date:2003-02-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Product-Assisted Catalysis in Base Excision DNA Repair
Nat.Struct.Biol., 10, 2003
1LWV
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BU of 1lwv by Molmil
Borohydride-trapped hOgg1 Intermediate Structure Co-Crystallized with 8-aminoguanine
Descriptor: 5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 8-AMINOGUANINE, ...
Authors:Fromme, J.C, Bruner, S.D, Yang, W, Karplus, M, Verdine, G.L.
Deposit date:2002-06-03
Release date:2003-02-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Product-Assisted Catalysis in Base Excision DNA Repair
Nat.Struct.Biol., 10, 2003
1LWY
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BU of 1lwy by Molmil
hOgg1 Borohydride-Trapped Intermediate without 8-oxoguanine
Descriptor: 5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 8-OXOGUANINE DNA GLYCOSYLASE
Authors:Fromme, J.C, Bruner, S.D, Yang, W, Karplus, M, Verdine, G.L.
Deposit date:2002-06-03
Release date:2003-02-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Product-Assisted Catalysis in Base Excision DNA Repair
Nat.Struct.Biol., 10, 2003
8ADH
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BU of 8adh by Molmil
INTERDOMAIN MOTION IN LIVER ALCOHOL DEHYDROGENASE. STRUCTURAL AND ENERGETIC ANALYSIS OF THE HINGE BENDING MODE
Descriptor: APO-LIVER ALCOHOL DEHYDROGENASE, ZINC ION
Authors:Jones, T.A, Eklund, H.
Deposit date:1989-04-20
Release date:1989-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Interdomain motion in liver alcohol dehydrogenase. Structural and energetic analysis of the hinge bending mode.
J.Biol.Chem., 261, 1986
6W13
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BU of 6w13 by Molmil
Human 8-oxoguanine glycosylase interrogating fully intrahelical oxoG lesion DNA
Descriptor: 2-(2-ethoxyethoxy)ethanethiol, ACETATE ION, DNA (5'-D(P*AP*CP*CP*TP*GP*G)-3'), ...
Authors:Shigdel, U, Verdine, G.
Deposit date:2020-03-03
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:The trajectory of intrahelical lesion recognition and extrusion by the human 8-oxoguanine DNA glycosylase.
Nat Commun, 11, 2020
6W0M
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BU of 6w0m by Molmil
Human 8-oxoguanine glycosylase crosslinked with oxoG lesion containing DNA
Descriptor: 2-(2-ethoxyethoxy)ethanethiol, DNA (5'-D(P*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(P*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3'), ...
Authors:Shigdel, U, Verdine, G.
Deposit date:2020-03-02
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:The trajectory of intrahelical lesion recognition and extrusion by the human 8-oxoguanine DNA glycosylase.
Nat Commun, 11, 2020
6W0R
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BU of 6w0r by Molmil
Human 8-oxoguanine glycosylase interrogating fully intrahelical undamaged DNA
Descriptor: 2-(2-ethoxyethoxy)ethanethiol, DNA (5'-D(P*CP*AP*GP*GP*TP*C)-3'), DNA (5'-D(P*CP*CP*TP*GP*G)-3'), ...
Authors:Shigdel, U, Verdine, G.
Deposit date:2020-03-02
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The trajectory of intrahelical lesion recognition and extrusion by the human 8-oxoguanine DNA glycosylase.
Nat Commun, 11, 2020
1AXE
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BU of 1axe by Molmil
CRYSTAL STRUCTURE OF THE ACTIVE-SITE MUTANT PHE93->TRP OF HORSE LIVER ALCOHOL DEHYDROGENASE IN COMPLEX WITH NAD AND INHIBITOR TRIFLUOROETHANOL
Descriptor: ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ...
Authors:Colby, T.D, Chin, J.K, Goldstein, B.M.
Deposit date:1997-10-15
Release date:1998-04-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:A link between protein structure and enzyme catalyzed hydrogen tunneling.
Proc.Natl.Acad.Sci.USA, 94, 1997
2RGX
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BU of 2rgx by Molmil
Crystal Structure of Adenylate Kinase from Aquifex Aeolicus in complex with Ap5A
Descriptor: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ZINC ION
Authors:Thai, V, Wolf-Watz, M, Fenn, T, Pozharski, E, Wilson, M.A, Petsko, G.A, Kern, D.
Deposit date:2007-10-05
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Intrinsic motions along an enzymatic reaction trajectory.
Nature, 450, 2007
2RH5
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BU of 2rh5 by Molmil
Structure of Apo Adenylate Kinase from Aquifex Aeolicus
Descriptor: Adenylate kinase
Authors:Thai, V, Wolf-Watz, M, Fenn, T, Pozharski, E, Wilson, M.A, Petsko, G.A, Kern, D.
Deposit date:2007-10-05
Release date:2007-12-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Intrinsic motions along an enzymatic reaction trajectory.
Nature, 450, 2007

 

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