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PDB: 59 results

5COX
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BU of 5cox by Molmil
UNINHIBITED MOUSE CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kurumbail, R, Stallings, W.
Deposit date:1996-12-18
Release date:1997-12-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
6OVU
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BU of 6ovu by Molmil
Coiled-coil Trimer with Glu:3,4-difluorophenylalanine:Lys Triad
Descriptor: Coiled-coil Trimer with Glu:3,4-difluorophenylalanine:Lys Triad
Authors:Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
Deposit date:2019-05-08
Release date:2020-04-29
Last modified:2020-05-20
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
3PGH
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BU of 3pgh by Molmil
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A NON-SELECTIVE INHIBITOR, FLURBIPROFEN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, FLURBIPROFEN, ...
Authors:Kurumbail, R, Stallings, W.
Deposit date:1996-12-18
Release date:1997-12-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
3M10
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BU of 3m10 by Molmil
Substrate-free form of Arginine Kinase
Descriptor: Arginine kinase, SULFATE ION
Authors:Yousef, M.S, Clark, S.A, Pruett, P.K, Somasundaram, T, Ellington, W.R, Chapman, M.S.
Deposit date:2010-03-03
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.727 Å)
Cite:Arginine kinase: joint crystallographic and NMR RDC analyses link substrate-associated motions to intrinsic flexibility.
J.Mol.Biol., 405, 2011
5UXT
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BU of 5uxt by Molmil
Coiled-coil Trimer with Glu:Trp:Lys Triad
Descriptor: GLYCEROL, coiled-coil trimer with Glu:Trp:Lys triad
Authors:Smith, M.S, Billings, W.M, Whitby, F.G, Miller, M.B, Price, J.L.
Deposit date:2017-02-23
Release date:2017-08-09
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Enhancing a long-range salt bridge with intermediate aromatic and nonpolar amino acids.
Org. Biomol. Chem., 15, 2017
1Z6J
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BU of 1z6j by Molmil
Crystal Structure of a ternary complex of Factor VIIa/Tissue Factor/Pyrazinone Inhibitor
Descriptor: 5-[AMINO(IMINO)METHYL]-2-[({[6-[3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]-3-(ISOPROPYLAMINO)-2-OXOPYRAZIN-1(2H)-YL]ACETYL}AMINO)METHYL]-N-PYRIDIN-4-YLBENZAMIDE, CALCIUM ION, Coagulation factor VII, ...
Authors:Schweitzer, B.A, Neumann, W.L, Rahman, H.K, Kusturin, C.L, Sample, K.R, Poda, G.I, Kurumbail, R.G, Stevens, A.M, Stegeman, R.A, Stallings, W.C.
Deposit date:2005-03-22
Release date:2005-05-03
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design and synthesis of pyrazinones containing novel P1 'side pocket' moieties as inhibitors of TF/VIIa.
Bioorg.Med.Chem.Lett., 15, 2005
1CVU
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BU of 1cvu by Molmil
CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARACHIDONIC ACID, ...
Authors:Kiefer, J.R, Pawlitz, J.L, Moreland, K.T, Stegeman, R.A, Gierse, J.K, Stevens, A.M, Goodwin, D.C, Rowlinson, S.W, Marnett, L.J, Stallings, W.C, Kurumbail, R.G.
Deposit date:1999-08-24
Release date:2000-05-16
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into the stereochemistry of the cyclooxygenase reaction.
Nature, 405, 2000
1CX2
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BU of 1cx2 by Molmil
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A SELECTIVE INHIBITOR, SC-558
Descriptor: 1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-5-PARABROMOPHENYLPYRAZOLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, ...
Authors:Kurumbail, R, Stallings, W.
Deposit date:1996-12-17
Release date:1997-12-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
4COX
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BU of 4cox by Molmil
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A NON-SELECTIVE INHIBITOR, INDOMETHACIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, INDOMETHACIN, ...
Authors:Kurumbail, R, Stallings, W.
Deposit date:1996-12-18
Release date:1997-12-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
1R35
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BU of 1r35 by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER, TETRAHYDROBIOPTERIN AND 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE
Descriptor: 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Shieh, H.S, Stevens, A.M, Stallings, W.C.
Deposit date:2003-09-30
Release date:2004-10-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:4-Fluorinated L-lysine analogs as selective i-NOS inhibitors: methodology for introducing fluorine into the lysine side chain.
Org.Biomol.Chem., 1, 2003
6V4Y
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BU of 6v4y by Molmil
Coiled-coil Trimer with Glu:Tyr:Lys Triad with a K7A mutation
Descriptor: Coiled-coil Trimer with Glu:Tyr:Lys Triad with a K7A mutation
Authors:Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
Deposit date:2019-12-02
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
6V50
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BU of 6v50 by Molmil
Coiled-coil Trimer with Glu:Ser:Lys Triad with K7A mutation
Descriptor: Coiled-coil Trimer with Glu:Ser:Lys Triad with K7A mutation
Authors:Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
Deposit date:2019-12-02
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.285 Å)
Cite:Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
6V58
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BU of 6v58 by Molmil
Coiled-coil Trimer with Glu:Norleucine:Lys Triad
Descriptor: Coiled-coil Trimer with Glu:Norleucine:Lys Triad
Authors:Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
Deposit date:2019-12-03
Release date:2020-04-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
6V5G
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BU of 6v5g by Molmil
Coiled-coil Trimer with Ala:Leu:Lys Triad
Descriptor: Coiled-coil Trimer with Ala:Leu:Lys Triad, PENTAETHYLENE GLYCOL
Authors:Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
Deposit date:2019-12-04
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
1SD0
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BU of 1sd0 by Molmil
Structure of arginine kinase C271A mutant
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ARGININE, Arginine kinase, ...
Authors:Gattis, J.L, Ruben, E, Fenley, M.O, Ellington, W.R, Chapman, M.S.
Deposit date:2004-02-12
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The active site cysteine of arginine kinase: structural and functional analysis of partially active mutants
Biochemistry, 43, 2004
6V5J
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BU of 6v5j by Molmil
Coiled-coil Trimer with Glu:Leu:Ala Triad
Descriptor: Coiled-coil Trimer with Glu:Leu:Ala Triad
Authors:Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
Deposit date:2019-12-04
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
6V57
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BU of 6v57 by Molmil
Coiled-coil Trimer with Glu:Norvaline:Lys Triad
Descriptor: Coiled-coil Trimer with Glu:Norvaline:Lys Triad
Authors:Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
Deposit date:2019-12-03
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
6V5I
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BU of 6v5i by Molmil
Coiled-coil Trimer with Ala:Leu:Ala Triad
Descriptor: Coiled-coil Trimer with Ala:Leu:Ala Triad, PENTAETHYLENE GLYCOL
Authors:Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
Deposit date:2019-12-04
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
1BG0
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BU of 1bg0 by Molmil
TRANSITION STATE STRUCTURE OF ARGININE KINASE
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ARGININE KINASE, D-ARGININE, ...
Authors:Zhou, G, Somasundaram, T, Blanc, E, Parthasarathy, G, Ellington, W.R, Chapman, M.S.
Deposit date:1998-06-03
Release date:1998-10-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Transition state structure of arginine kinase: implications for catalysis of bimolecular reactions.
Proc.Natl.Acad.Sci.USA, 95, 1998
2W9Q
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BU of 2w9q by Molmil
Crystal Structure of Potato Multicystatin-P212121
Descriptor: MULTICYSTATIN
Authors:Nissen, M.S, Kumar, G.N, Youn, B, Knowles, D.B, Lam, K.S, Ballinger, W.J, Knowles, N.R, Kang, C.
Deposit date:2009-01-28
Release date:2010-02-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Characterization of Solanum Tuberosum Multicystatin and its Structural Comparison with Other Cystatins.
Plant Cell, 21, 2009
1UB1
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BU of 1ub1 by Molmil
Solution structure of the matrix attachment region-binding domain of chicken MeCP2
Descriptor: attachment region binding protein
Authors:Heitmann, B, Maurer, T, Weitzel, J.M, Stratling, W.H, Kalbitzer, H.R, Brunner, E, Structural Proteomics in Europe (SPINE)
Deposit date:2003-03-27
Release date:2003-08-05
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the matrix attachment region-binding domain of chicken MeCP2
EUR.J.BIOCHEM., 270, 2003
2W9P
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BU of 2w9p by Molmil
Crystal Structure of Potato Multicystatin
Descriptor: MULTICYSTATIN
Authors:Nissen, M.S, Kumar, G.N, Youn, B, Knowles, D.B, Lam, K.S, Ballinger, W.J, Knowles, N.R, Kang, C.
Deposit date:2009-01-28
Release date:2010-02-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Characterization of Solanum Tuberosum Multicystatin and its Structural Comparison with Other Cystatins.
Plant Cell, 21, 2009
1CMV
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BU of 1cmv by Molmil
HUMAN CYTOMEGALOVIRUS PROTEASE
Descriptor: HUMAN CYTOMEGALOVIRUS PROTEASE
Authors:Shieh, H.-S, Kurumbail, R.G, Stevens, A.M, Stegeman, R.A, Sturman, E.J, Pak, J.Y, Wittwer, A.J, Palmier, M.O, Wiegand, R.C, Holwerda, B.C, Stallings, W.C.
Deposit date:1996-08-26
Release date:1997-09-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Three-dimensional structure of human cytomegalovirus protease.
Nature, 383, 1996
1PXX
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BU of 1pxx by Molmil
CRYSTAL STRUCTURE OF DICLOFENAC BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2
Descriptor: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kiefer, J.R, Rowlinson, S.W, Prusakiewicz, J.J, Pawlitz, J.L, Kozak, K.R, Kalgutkar, A.S, Stallings, W.C, Marnett, L.J, Kurumbail, R.G.
Deposit date:2003-07-07
Release date:2003-09-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A Novel Mechanism of Cyclooxygenase-2 Inhibition Involving Interactions with Ser-530 and Tyr-385.
J.Biol.Chem., 278, 2003
1QYZ
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BU of 1qyz by Molmil
Characterization of the malformed, recombinant cytochrome rC552
Descriptor: 2-ACETYL-PROTOPORPHYRIN IX, Cytochrome c-552
Authors:Fee, J.A, Todaro, T.R, Luna, E, Sanders, D, Hunsicker-Wang, L.M, Patel, K.M, Bren, K.L, Gomez-Moran, E, Hill, M.G, Ai, J, Loehr, T.M, Oertling, W.A, Williams, P.A, Stout, C.D, McRee, D, Pastuszyn, A.
Deposit date:2003-09-12
Release date:2004-09-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Cytochrome rC552, formed during expression of the truncated, Thermus thermophilus cytochrome c552 gene in the cytoplasm of Escherichia coli, reacts spontaneously to form protein-bound 2-formyl-4-vinyl (Spirographis) heme.
Biochemistry, 43, 2004

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