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PDB: 54 results

5FDQ
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BU of 5fdq by Molmil
Murine COX-2 S530T mutant
Descriptor: 2-[(2~{R})-2-(hydroxymethyloxy)propoxy]ethanol, 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:2015-12-16
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry.
Biochemistry, 55, 2016
8T1Y
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BU of 8t1y by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352) Bound to Neu5Ac2en (DANA)
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, DI(HYDROXYETHYL)ETHER, Sialidase, ...
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2023-06-05
Release date:2023-10-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.14 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
8T27
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BU of 8t27 by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352) D219A mutant bound to 6'-Sialyllactose (only Neu5Ac visible)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid, ...
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2023-06-05
Release date:2023-10-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.41 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
8T1Z
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BU of 8t1z by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352) Bound to Neu5Ac (NANA)
Descriptor: DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid, Sialidase, ...
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2023-06-05
Release date:2023-10-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93 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
8T24
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BU of 8t24 by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352)- Fructose bound in CBM
Descriptor: CITRATE ANION, D-fructose, DI(HYDROXYETHYL)ETHER, ...
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2023-06-05
Release date:2023-10-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.29 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
8T26
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BU of 8t26 by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352) D219A mutant bound to 3'-Sialyllactose (only Neu5Ac visible)
Descriptor: DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid, Sialidase, ...
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2023-06-05
Release date:2023-10-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.42 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
4HHR
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BU of 4hhr by Molmil
Crystal Structure of fatty acid alpha-dioxygenase (Arabidopsis thaliana)
Descriptor: Alpha-dioxygenase, CALCIUM ION, CHLORIDE ION, ...
Authors:Goulah, C.C, Zhu, G, Koszelak-Rosenblum, M, Malkowski, M.G.
Deposit date:2012-10-10
Release date:2013-02-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:The crystal structure of alpha-Dioxygenase provides insight into diversity in the cyclooxygenase-peroxidase superfamily.
Biochemistry, 52, 2013
4IL3
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BU of 4il3 by Molmil
Crystal Structure of S. mikatae Ste24p
Descriptor: Ste24p, ZINC ION
Authors:Pryor Jr, E.E, Horanyi, P.S, Clark, K, Fedoriw, N, Connelly, S.M, Koszelak-Rosenblum, M, Zhu, G, Malkowski, M.G, Dumont, M.E, Wiener, M.C, Membrane Protein Structural Biology Consortium (MPSBC)
Deposit date:2012-12-28
Release date:2013-02-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:Structure of the integral membrane protein CAAX protease Ste24p.
Science, 339, 2013
4HHS
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BU of 4hhs by Molmil
Crystal Structure of fatty acid alpha-dioxygenase (Arabidopsis thaliana)
Descriptor: Alpha-dioxygenase, CALCIUM ION, CHLORIDE ION, ...
Authors:Goulah, C.C, Zhu, G, Koszelak-Rosenblum, M, Malkowski, M.G.
Deposit date:2012-10-10
Release date:2013-02-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystal structure of alpha-Dioxygenase provides insight into diversity in the cyclooxygenase-peroxidase superfamily.
Biochemistry, 52, 2013
4KVJ
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BU of 4kvj by Molmil
Crystal structure of Oryza sativa fatty acid alpha-dioxygenase with hydrogen peroxide
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Zhu, G, Koszelak-Rosenblum, M, Malkowski, M.G.
Deposit date:2013-05-22
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal structures of alpha-dioxygenase from Oryza sativa: Insights into substrate binding and activation by hydrogen peroxide.
Protein Sci., 22, 2013
4KVL
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BU of 4kvl by Molmil
Crystal structure of Oryza sativa fatty acid alpha-dioxygenase Y379F with palmitic acid
Descriptor: CALCIUM ION, CHLORIDE ION, Fatty acid alpha-oxidase, ...
Authors:Zhu, G, Koszelak-Rosenblum, M, Malkowski, M.G.
Deposit date:2013-05-22
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structures of alpha-dioxygenase from Oryza sativa: Insights into substrate binding and activation by hydrogen peroxide.
Protein Sci., 22, 2013
1A0H
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BU of 1a0h by Molmil
THE X-RAY CRYSTAL STRUCTURE OF PPACK-MEIZOTHROMBIN DESF1: KRINGLE/THROMBIN AND CARBOHYDRATE/KRINGLE/THROMBIN INTERACTIONS AND LOCATION OF THE LINKER CHAIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, MEIZOTHROMBIN
Authors:Martin, P.D, Malkowski, M.G, Box, J, Esmon, C.T, Edwards, B.F.P.
Deposit date:1997-11-30
Release date:1998-06-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:New insights into the regulation of the blood clotting cascade derived from the X-ray crystal structure of bovine meizothrombin des F1 in complex with PPACK.
Structure, 5, 1997
3MDL
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BU of 3mdl by Molmil
X-ray crystal structure of 1-arachidonoyl glycerol bound to the cyclooxygenase channel of cyclooxygenase-2
Descriptor: (2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 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:2010-03-30
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structural basis of endocannabinoid oxygenation by cyclooxygenase-2.
J.Biol.Chem., 286, 2011
3OLT
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BU of 3olt by Molmil
X-ray crystal structure of arachidonic acid bound to the cyclooxygenase channel of R513H 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:2010-08-26
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The structural basis of endocannabinoid oxygenation by cyclooxygenase-2.
J.Biol.Chem., 286, 2011
3OLU
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BU of 3olu by Molmil
X-ray crystal structure of 1-arachidonoyl glycerol bound to the cyclooxygenase channel of R513H murine COX-2
Descriptor: (2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vecchio, A.J, Malkowski, M.G.
Deposit date:2010-08-26
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The structural basis of endocannabinoid oxygenation by cyclooxygenase-2.
J.Biol.Chem., 286, 2011
3QH0
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BU of 3qh0 by Molmil
X-ray crystal structure of palmitic acid bound to the cyclooxygenase channel of cyclooxygenase-2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vecchio, A.J, Malkowski, M.G.
Deposit date:2011-01-25
Release date:2011-04-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human cyclooxygenase-2 is a sequence homodimer that functions as a conformational heterodimer.
J.Biol.Chem., 286, 2011
3QMO
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BU of 3qmo by Molmil
X-ray crystal structure of NS-398 bound to the cyclooxygenase channel of cyclooxygenase-2
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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:2011-02-04
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of NS-398 bound to cyclooxygenase-2.
J.Struct.Biol., 176, 2011
5IKT
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BU of 5ikt by Molmil
The Structure of Tolfenamic Acid Bound to Human Cyclooxygenase-2
Descriptor: 2-[(3-chloro-2-methylphenyl)amino]benzoic acid, 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, Malkowski, M.G.
Deposit date:2016-03-03
Release date:2016-05-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.451 Å)
Cite:Substrate-selective Inhibition of Cyclooxygeanse-2 by Fenamic Acid Derivatives Is Dependent on Peroxide Tone.
J.Biol.Chem., 291, 2016
5JVY
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BU of 5jvy by Molmil
Crystal structure of 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, ACRYLIC ACID, ...
Authors:Orlando, B.J, Malkowski, M.G, Dong, L.
Deposit date:2016-05-11
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.36 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
5KIR
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BU of 5kir by Molmil
The Structure of Vioxx Bound to Human COX-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, GLYCEROL, ...
Authors:Orlando, B.J, Malkowski, M.G.
Deposit date:2016-06-16
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:Crystal structure of rofecoxib bound to human cyclooxygenase-2.
Acta Crystallogr.,Sect.F, 72, 2016
5IKR
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BU of 5ikr by Molmil
The Structure of Mefenamic Acid Bound to Human Cyclooxygenase-2
Descriptor: 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, ...
Authors:Orlando, B.J, Malkowski, M.G.
Deposit date:2016-03-03
Release date:2016-05-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.342 Å)
Cite:Substrate-selective Inhibition of Cyclooxygeanse-2 by Fenamic Acid Derivatives Is Dependent on Peroxide Tone.
J.Biol.Chem., 291, 2016
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
3K8J
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BU of 3k8j by Molmil
Structure of crystal form III 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:2024-02-21
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
3K8H
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BU of 3k8h 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 (2.39 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

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