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PDB: 58 results
6OFY
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BU of 6ofy by Molmil
Crystal Structure of Arachidonic Acid bound to V349I murine COX-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, ARACHIDONIC ACID, ...
Authors:Malkowski, M.G.
Deposit date:2019-04-01
Release date:2020-02-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Arg-513 and Leu-531 Are Key Residues Governing Time-Dependent Inhibition of Cyclooxygenase-2 by Aspirin and Celebrex.
Biochemistry, 58, 2019
2IP1
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BU of 2ip1 by Molmil
Crystal Structure Analysis of S. cerevisiae Tryptophanyl tRNA Synthetase
Descriptor: TETRAETHYLENE GLYCOL, Tryptophanyl-tRNA synthetase
Authors:Malkowski, M.G, Center for High-Throughput Structural Biology (CHTSB)
Deposit date:2006-10-11
Release date:2007-06-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Blocking S-adenosylmethionine synthesis in yeast allows selenomethionine incorporation and multiwavelength anomalous dispersion phasing.
Proc.Natl.Acad.Sci.Usa, 104, 2007
1IGZ
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BU of 1igz by Molmil
Crystal Structure of Linoleic acid Bound in the Cyclooxygenase Channel of Prostaglandin Endoperoxide H Synthase-1.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ...
Authors:Malkowski, M.G, Thuresson, E.D, Smith, W.L, Garavito, R.M.
Deposit date:2001-04-18
Release date:2001-12-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of eicosapentaenoic and linoleic acids in the cyclooxygenase site of prostaglandin endoperoxide H synthase-1.
J.Biol.Chem., 276, 2001
1IGX
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BU of 1igx by Molmil
Crystal Structure of Eicosapentanoic Acid Bound in the Cyclooxygenase Channel of Prostaglandin Endoperoxide H Synthase-1.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,8,11,14,17-EICOSAPENTAENOIC ACID, ...
Authors:Malkowski, M.G, Thuresson, E.D, Smith, W.L, Garavito, R.M.
Deposit date:2001-04-18
Release date:2001-12-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of eicosapentaenoic and linoleic acids in the cyclooxygenase site of prostaglandin endoperoxide H synthase-1.
J.Biol.Chem., 276, 2001
1TVX
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BU of 1tvx by Molmil
NEUTROPHIL ACTIVATING PEPTIDE-2 VARIANT FORM M6L WITH FIVE ADDITIONAL AMINO TERMINAL RESIDUES (DSDLY)
Descriptor: NEUTROPHIL ACTIVATING PEPTIDE 2 VARIANT
Authors:Malkowski, M.G, Edwards, B.F.P.
Deposit date:1996-11-05
Release date:1997-01-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The amino-terminal residues in the crystal structure of connective tissue activating peptide-III (des10) block the ELR chemotactic sequence.
J.Mol.Biol., 266, 1997
1YCP
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BU of 1ycp by Molmil
THE CRYSTAL STRUCTURE OF FIBRINOGEN-AA PEPTIDE 1-23 (F8Y) BOUND TO BOVINE THROMBIN EXPLAINS WHY THE MUTATION OF PHE-8 TO TYROSINE STRONGLY INHIBITS NORMAL CLEAVAGE AT ARGININE-16
Descriptor: ALPHA THROMBIN, EPSILON THROMBIN, FIBRINOPEPTIDE A-ALPHA
Authors:Malkowski, M.G, Edwards, B.F.P.
Deposit date:1997-05-01
Release date:1998-05-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of fibrinogen-Aalpha peptide 1-23 (F8Y) bound to bovine thrombin explains why the mutation of Phe-8 to tyrosine strongly inhibits normal cleavage at Arg-16.
Biochem.J., 326, 1997
1MKW
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BU of 1mkw by Molmil
THE CO-CRYSTAL STRUCTURE OF UNLIGANDED BOVINE ALPHA-THROMBIN AND PRETHROMBIN-2: MOVEMENT OF THE YPPW SEGMENT AND ACTIVE SITE RESIDUES UPON LIGAND BINDING
Descriptor: ALPHA-THROMBIN, PRETHROMBIN-2
Authors:Malkowski, M.G, Edwards, B.F.P.
Deposit date:1997-03-13
Release date:1997-07-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The co-crystal structure of unliganded bovine alpha-thrombin and prethrombin-2: movement of the Tyr-Pro-Pro-Trp segment and active site residues upon ligand binding.
Protein Sci., 6, 1997
1MKX
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BU of 1mkx by Molmil
THE CO-CRYSTAL STRUCTURE OF UNLIGANDED BOVINE ALPHA-THROMBIN AND PRETHROMBIN-2: MOVEMENT OF THE YPPW SEGMENT AND ACTIVE SITE RESIDUES UPON LIGAND BINDING
Descriptor: ALPHA-THROMBIN, PRETHROMBIN-2
Authors:Malkowski, M.G, Edwards, B.F.P.
Deposit date:1997-03-13
Release date:1997-07-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The co-crystal structure of unliganded bovine alpha-thrombin and prethrombin-2: movement of the Tyr-Pro-Pro-Trp segment and active site residues upon ligand binding.
Protein Sci., 6, 1997
1DIY
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BU of 1diy by Molmil
CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND IN THE CYCLOOXYGENASE ACTIVE SITE OF PGHS-1
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-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:Malkowski, M.G, Ginell, S.L, Smith, W.L, Garavito, R.M.
Deposit date:1999-11-30
Release date:2000-09-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:The productive conformation of arachidonic acid bound to prostaglandin synthase.
Science, 289, 2000
1NAP
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BU of 1nap by Molmil
THE CRYSTAL STRUCTURE OF RECOMBINANT HUMAN NEUTROPHIL-ACTIVATING PEPTIDE-2 (M6L) AT 1.9-ANGSTROMS RESOLUTION
Descriptor: NEUTROPHIL ACTIVATING PEPTIDE-2
Authors:Malkowski, M.G, Edwards, B.F.P.
Deposit date:1994-12-19
Release date:1995-12-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of recombinant human neutrophil-activating peptide-2 (M6L) at 1.9-A resolution.
J.Biol.Chem., 270, 1995
5JVZ
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BU of 5jvz by Molmil
Crystal structure of flurbiprofen bound to S121P murine COX-2 mutant
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Malkowski, M.G, Orlando, B.J.
Deposit date:2016-05-11
Release date:2016-10-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Fatty Acid Binding to the Allosteric Subunit of Cyclooxygenase-2 Relieves a Tonic Inhibition of the Catalytic Subunit.
J.Biol.Chem., 291, 2016
5JW1
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BU of 5jw1 by Molmil
Crystal structure of Celecoxib bound to S121P murine COX-2 mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, ...
Authors:Malkowski, M.G, Orlando, B.J.
Deposit date:2016-05-11
Release date:2016-10-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.822 Å)
Cite:Fatty Acid Binding to the Allosteric Subunit of Cyclooxygenase-2 Relieves a Tonic Inhibition of the Catalytic Subunit.
J.Biol.Chem., 291, 2016
9MDO
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BU of 9mdo by Molmil
Crystal Structure of Y559A Prosegment Binding Loop Mutant of C0362 (TDE_0362 [TDE0362] resi 205-647)
Descriptor: 1,2-ETHANEDIOL, Bacterial Ig-like domain protein C0362, CHLORIDE ION
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2024-12-05
Release date:2025-02-12
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural insights into the role of the prosegment binding loop in a papain-superfamily cysteine protease from Treponema denticola.
Acta Crystallogr.,Sect.F, 81, 2025
9MDK
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BU of 9mdk by Molmil
Crystal Structure of E64-inhibited C0362 (TDE_0362 [TDE0362] resi 205-647)
Descriptor: 1,2-ETHANEDIOL, Bacterial Ig-like domain protein C0362, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2024-12-05
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural insights into the role of the prosegment binding loop in a papain-superfamily cysteine protease from Treponema denticola.
Acta Crystallogr.,Sect.F, 81, 2025
9MDM
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BU of 9mdm by Molmil
Crystal Structure of C412S Mutant of C0362 (TDE_0362 [TDE0362] resi 205-647)
Descriptor: 1,2-ETHANEDIOL, Bacterial Ig-like domain protein C0362, PHOSPHATE ION, ...
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2024-12-05
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural insights into the role of the prosegment binding loop in a papain-superfamily cysteine protease from Treponema denticola.
Acta Crystallogr.,Sect.F, 81, 2025
9ARC
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BU of 9arc by Molmil
Crystal Structure of C0362 (TDE_0362 [TDE0362] resi 205-647)
Descriptor: Bacterial Ig-like domain protein C0362, POTASSIUM ION
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2024-02-23
Release date:2024-11-27
Last modified:2025-03-05
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:A bipartite bacterial virulence factor targets the complement system and neutrophil activation.
Embo J., 44, 2025
1FE2
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BU of 1fe2 by Molmil
CRYSTAL STRUCTURE OF DIHOMO-GAMMA-LINOLEIC ACID BOUND IN THE CYCLOOXYGENASE CHANNEL OF PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE-1.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, EICOSA-8,11,14-TRIENOIC ACID, PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE-1, ...
Authors:Thuresson, E.D, Malkowski, M.G, Lakkides, K.M, Smith, W.L, Garavito, R.M.
Deposit date:2000-07-20
Release date:2001-05-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mutational and X-ray crystallographic analysis of the interaction of dihomo-gamma -linolenic acid with prostaglandin endoperoxide H synthases.
J.Biol.Chem., 276, 2001
8FEB
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BU of 8feb by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352)
Descriptor: CITRATE ANION, DI(HYDROXYETHYL)ETHER, Sialidase, ...
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2022-12-06
Release date:2023-10-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Plos Pathog., 19, 2023
3K8G
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BU of 3k8g by Molmil
Structure of crystal form I of TP0453
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 30kLP
Authors:Zhu, G, Luthra, A, Desrosiers, D, Koszelak-Rosenblum, M, Mulay, V, Radolf, J.D, Malkowski, M.G.
Deposit date:2009-10-14
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Transition from Closed to Open Conformation of Treponema pallidum Outer Membrane-associated Lipoprotein TP0453 Involves Membrane Sensing and Integration by Two Amphipathic Helices.
J.Biol.Chem., 286, 2011
3K8I
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BU of 3k8i by Molmil
Structure of crystal form IV of TP0453
Descriptor: 30kLP
Authors:Zhu, G, Luthra, A, Desrosiers, D, Koszelak-Rosenblum, M, Mulay, V, Radolf, J.D, Malkowski, M.G.
Deposit date:2009-10-14
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Transition from Closed to Open Conformation of Treponema pallidum Outer Membrane-associated Lipoprotein TP0453 Involves Membrane Sensing and Integration by Two Amphipathic Helices.
J.Biol.Chem., 286, 2011
3TZI
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BU of 3tzi by Molmil
X-ray crystal structure of arachidonic acid bound in the cyclooxygenase channel of G533V murine COX-2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vecchio, A.J, Malkowski, M.G.
Deposit date:2011-09-27
Release date:2012-04-25
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Investigating Substrate Promiscuity in Cyclooxygenase-2: THE ROLE OF ARG-120 AND RESIDUES LINING THE HYDROPHOBIC GROOVE.
J.Biol.Chem., 287, 2012
5F19
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BU of 5f19 by Molmil
The Crystal Structure of Aspirin Acetylated Human Cyclooxygenase-2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lucido, M.J, Orlando, B.J, Malkowski, M.G.
Deposit date:2015-11-30
Release date:2016-03-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry.
Biochemistry, 55, 2016
5F1A
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BU of 5f1a by Molmil
The Crystal Structure of Salicylate Bound to Human Cyclooxygenase-2
Descriptor: 1,2-ETHANEDIOL, 2-HYDROXYBENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lucido, M.J, Orlando, B.J, Malkowski, M.G.
Deposit date:2015-11-30
Release date:2016-03-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry.
Biochemistry, 55, 2016
5BWJ
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BU of 5bwj by Molmil
Structural characterization and modeling of the Borrelia burgdorferi hybrid histidine kinase Hk1 periplasmic sensor
Descriptor: MAGNESIUM ION, NITRATE ION, Sensory transduction histidine kinase, ...
Authors:Bauer, W.J, Luthra, A, Zhu, G, Radolf, J.D, Malkowski, M.G, Caimano, M.J.
Deposit date:2015-06-08
Release date:2015-07-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.054 Å)
Cite:Structural characterization and modeling of the Borrelia burgdorferi hybrid histidine kinase Hk1 periplasmic sensor: A system for sensing small molecules associated with tick feeding.
J.Struct.Biol., 192, 2015
4PH9
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BU of 4ph9 by Molmil
The structure of Ibuprofen bound to cyclooxygenase-2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Orlando, B.J, Lucido, M.J, Malkowski, M.G.
Deposit date:2014-05-05
Release date:2014-11-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The structure of ibuprofen bound to cyclooxygenase-2.
J.Struct.Biol., 189, 2015

 

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