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4GYK
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BU of 4gyk by Molmil
Crystal structure of mutant (D318N) bacillus subtilis family 3 glycoside hydrolase (nagz) in complex with glcnac-murnac (space group P1211)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, Glycoside Hydrolase NagZ
Authors:Bacik, J.P, Mark, B.L.
Deposit date:2012-09-05
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Active Site Plasticity within the Glycoside Hydrolase NagZ Underlies a Dynamic Mechanism of Substrate Distortion.
Chem.Biol., 19, 2012
4GVI
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BU of 4gvi by Molmil
Crystal structure of mutant (D248N) Salmonella typhimurium family 3 glycoside hydrolase (NagZ) in complex with GlcNAc-1,6-anhMurNAc
Descriptor: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bacik, J.P, Mark, B.L.
Deposit date:2012-08-30
Release date:2012-12-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Active Site Plasticity within the Glycoside Hydrolase NagZ Underlies a Dynamic Mechanism of Substrate Distortion.
Chem.Biol., 19, 2012
4GVF
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BU of 4gvf by Molmil
Crystal structure of Salmonella typhimurium family 3 glycoside hydrolase (NagZ) bound to GlcNAc
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bacik, J.P, Mark, B.L.
Deposit date:2012-08-30
Release date:2012-12-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Active Site Plasticity within the Glycoside Hydrolase NagZ Underlies a Dynamic Mechanism of Substrate Distortion.
Chem.Biol., 19, 2012
4GVG
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BU of 4gvg by Molmil
Crystal structure of Salmonella typhimurium family 3 glycoside hydrolase (NagZ)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-hexosaminidase
Authors:Bacik, J.P, Mark, B.L.
Deposit date:2012-08-30
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Active Site Plasticity within the Glycoside Hydrolase NagZ Underlies a Dynamic Mechanism of Substrate Distortion.
Chem.Biol., 19, 2012
4MO5
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BU of 4mo5 by Molmil
Crystal structure of AnmK bound to AMPPCP and anhMurNAc
Descriptor: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, Anhydro-N-acetylmuramic acid kinase, MAGNESIUM ION, ...
Authors:Bacik, J.P, Mark, B.L.
Deposit date:2013-09-11
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Conformational Itinerary of Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase during Its Catalytic Cycle.
J.Biol.Chem., 289, 2014
4MO4
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BU of 4mo4 by Molmil
Crystal structure of AnmK bound to AMPPCP
Descriptor: Anhydro-N-acetylmuramic acid kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Bacik, J.P, Mark, B.L.
Deposit date:2013-09-11
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Conformational Itinerary of Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase during Its Catalytic Cycle.
J.Biol.Chem., 289, 2014
4MSS
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BU of 4mss by Molmil
Crystal structure of Burkholderia cenocepacia family 3 glycoside hydrolase (NagZ) bound to (3S,4R,5R,6S)-3-acetamido-4,5,6-trihydroxyazepane
Descriptor: Beta-hexosaminidase 1, GLYCEROL, N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]acetamide
Authors:Vadlamani, G, Mark, B.L.
Deposit date:2013-09-18
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Selective trihydroxyazepane NagZ inhibitors increase sensitivity of Pseudomonas aeruginosa to beta-lactams.
Chem.Commun.(Camb.), 49, 2013
4RF1
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BU of 4rf1 by Molmil
Crystal structure of the Middle-East respiratory syndrome coronavirus papain-like protease in complex with ubiquitin (space group P63)
Descriptor: 3-AMINOPROPANE, ORF1ab protein, S-1,2-PROPANEDIOL, ...
Authors:Bailey-Elkin, B.A, Johnson, G.G, Mark, B.L.
Deposit date:2014-09-24
Release date:2014-10-22
Last modified:2015-01-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of the Middle East Respiratory Syndrome Coronavirus (MERS-CoV) Papain-like Protease Bound to Ubiquitin Facilitates Targeted Disruption of Deubiquitinating Activity to Demonstrate Its Role in Innate Immune Suppression.
J.Biol.Chem., 289, 2014
4REZ
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BU of 4rez by Molmil
Crystal structure of the Middle-East respiratory syndrome coronavirus papain-like protease
Descriptor: ORF1ab protein, S-1,2-PROPANEDIOL, ZINC ION
Authors:Bailey-Elkin, B.A, Johnson, G.G, Mark, B.L.
Deposit date:2014-09-24
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Middle East Respiratory Syndrome Coronavirus (MERS-CoV) Papain-like Protease Bound to Ubiquitin Facilitates Targeted Disruption of Deubiquitinating Activity to Demonstrate Its Role in Innate Immune Suppression.
J.Biol.Chem., 289, 2014
4RF0
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BU of 4rf0 by Molmil
Crystal structure of the Middle-East respiratory syndrome coronavirus papain-like protease in complex with ubiquitin (space group P6522)
Descriptor: 3-AMINOPROPANE, ORF1ab protein, SULFATE ION, ...
Authors:Bailey-Elkin, B.A, Johnson, G.G, Mark, B.L.
Deposit date:2014-09-24
Release date:2014-10-22
Last modified:2015-01-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Middle East Respiratory Syndrome Coronavirus (MERS-CoV) Papain-like Protease Bound to Ubiquitin Facilitates Targeted Disruption of Deubiquitinating Activity to Demonstrate Its Role in Innate Immune Suppression.
J.Biol.Chem., 289, 2014
8EHO
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BU of 8eho by Molmil
PRRSV-1 PLP2 domain bound to ubiquitin
Descriptor: 3-AMINOPROPANE, GLYCEROL, NITRATE ION, ...
Authors:Bailey-Elkin, B.A, Mark, B.L.
Deposit date:2022-09-14
Release date:2023-12-06
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Demonstrating the importance of porcine reproductive and respiratory syndrome virus papain-like protease 2 deubiquitinating activity in viral replication by structure-guided mutagenesis.
Plos Pathog., 19, 2023
8EHN
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BU of 8ehn by Molmil
PRRSV-1 PLP2 domain
Descriptor: ACETATE ION, Papain-like protease 2, ZINC ION
Authors:Bailey-Elkin, B.A, Mark, B.L.
Deposit date:2022-09-14
Release date:2023-12-06
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Demonstrating the importance of porcine reproductive and respiratory syndrome virus papain-like protease 2 deubiquitinating activity in viral replication by structure-guided mutagenesis.
Plos Pathog., 19, 2023
8CX9
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BU of 8cx9 by Molmil
Structure of the SARS-COV2 PLpro (C111S) in complex with a dimeric Ubv that inhibits activity by an unusual allosteric mechanism
Descriptor: BROMIDE ION, CHLORIDE ION, Papain-like protease nsp3, ...
Authors:Singer, A.U, Slater, C.L, Patel, A, Russel, R, Mark, B.L, Sidhu, S.S.
Deposit date:2022-05-20
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Ubiquitin variants potently inhibit SARS-CoV-2 PLpro and viral replication via a novel site distal to the protease active site.
Plos Pathog., 18, 2022
2GJX
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BU of 2gjx by Molmil
Crystallographic structure of human beta-Hexosaminidase A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase alpha chain, ...
Authors:Lemieux, M.J, Mark, B.L, Cherney, M.M, Withers, S.G, Mahuran, D.J, James, M.N.G.
Deposit date:2006-03-31
Release date:2006-06-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic structure of human beta-Hexosaminidase A: Interpretation of Tay-Sachs Mutations and Loss of GM2 Ganglioside Hydrolysis
J.Mol.Biol., 359, 2006
3PSE
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BU of 3pse by Molmil
Structure of a viral OTU domain protease bound to interferon-stimulated gene 15 (ISG15)
Descriptor: 1.7.6 3-bromanylpropan-1-amine, GLYCEROL, RNA polymerase, ...
Authors:Bacik, J.P, James, T.W, Frias-Staheli, N, Garcia-Sastre, A, Mark, B.L.
Deposit date:2010-12-01
Release date:2011-01-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the removal of ubiquitin and interferon-stimulated gene 15 by a viral ovarian tumor domain-containing protease.
Proc.Natl.Acad.Sci.USA, 108, 2011
3PT2
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BU of 3pt2 by Molmil
Structure of a viral OTU domain protease bound to Ubiquitin
Descriptor: 1.7.6 3-bromanylpropan-1-amine, ACETATE ION, RNA polymerase, ...
Authors:James, T.W, Bacik, J.P, Frias-Staheli, N, Garcia-Sastre, A, Mark, B.L.
Deposit date:2010-12-02
Release date:2011-01-19
Last modified:2023-05-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the removal of ubiquitin and interferon-stimulated gene 15 by a viral ovarian tumor domain-containing protease.
Proc.Natl.Acad.Sci.USA, 108, 2011
3QBW
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BU of 3qbw by Molmil
Crystal structure of pseudomonas aeruginosa 1,6-anhydro-n-actetylmuramic acid kinase (ANMK) bound to adenosine diphosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Anhydro-N-acetylmuramic acid kinase, SULFATE ION
Authors:Bacik, J.P, Martin, D.R, Mark, B.L.
Deposit date:2011-01-14
Release date:2011-02-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Molecular Basis of 1,6-Anhydro Bond Cleavage and Phosphoryl Transfer by Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase.
J.Biol.Chem., 286, 2011
3QBX
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BU of 3qbx by Molmil
Crystal structure of pseudomonas aeruginosa 1,6-anhydro-n-actetylmuramic acid kinase (ANMK) bound to 1,6-anhydro-n-actetylmuramic acid
Descriptor: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, Anhydro-N-acetylmuramic acid kinase, SULFATE ION
Authors:Bacik, J.P, Martin, D.R, Mark, B.L.
Deposit date:2011-01-14
Release date:2011-02-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Basis of 1,6-Anhydro Bond Cleavage and Phosphoryl Transfer by Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase.
J.Biol.Chem., 286, 2011
3GS6
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BU of 3gs6 by Molmil
Vibrio Cholerea family 3 glycoside hydrolase (NagZ)in complex with N-butyryl-PUGNAc
Descriptor: Beta-hexosaminidase, GLYCEROL, [[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO] N-PHENYLCARBAMATE
Authors:Balcewich, M.D, Mark, B.L.
Deposit date:2009-03-26
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insight into a strategy for attenuating AmpC-mediated beta-lactam resistance: structural basis for selective inhibition of the glycoside hydrolase NagZ.
Protein Sci., 18, 2009
3GSM
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BU of 3gsm by Molmil
Vibrio cholerae family 3 glycoside hydrolase (NagZ) bound to N-Valeryl-PUGNAc
Descriptor: Beta-hexosaminidase, GLYCEROL, [[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate
Authors:Balcewich, M.D, Mark, B.L.
Deposit date:2009-03-27
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Insight into a strategy for attenuating AmpC-mediated beta-lactam resistance: structural basis for selective inhibition of the glycoside hydrolase NagZ.
Protein Sci., 18, 2009
1M04
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BU of 1m04 by Molmil
Mutant Streptomyces plicatus beta-hexosaminidase (D313N) in complex with product (GlcNAc)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
Authors:Williams, S.J, Mark, B.L, Vocadlo, D.J, James, M.N.G, Withers, S.G.
Deposit date:2002-06-11
Release date:2002-12-11
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Aspartate 313 in the Streptomyces plicatus hexosaminidase plays a critical role in substrate-assisted catalysis by orienting the 2-acetamido group and stabilizing the transition state.
J.Biol.Chem., 277, 2002
1M03
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BU of 1m03 by Molmil
Mutant Streptomyces plicatus beta-hexosaminidase (D313A) in complex with product (GlcNAc)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
Authors:Williams, S.J, Mark, B.L, Vocadlo, D.J, James, M.N.G, Withers, S.G.
Deposit date:2002-06-11
Release date:2002-12-11
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Aspartate 313 in the Streptomyces plicatus hexosaminidase plays a critical role in substrate-assisted catalysis by orienting the 2-acetamido group and stabilizing the transition state.
J.Biol.Chem., 277, 2002
1M01
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BU of 1m01 by Molmil
Wildtype Streptomyces plicatus beta-hexosaminidase in complex with product (GlcNAc)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
Authors:J Williams, S, Mark, B.L, Vocadlo, D.J, James, M.N.G, Withers, S.G.
Deposit date:2002-06-11
Release date:2003-01-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aspartate 313 in the Streptomyces plicatus hexosaminidase plays a critical role in substrate-assisted catalysis by orienting the 2-acetamido group and stabilizing the transition state.
J.Biol.Chem., 277, 2002
1MBM
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BU of 1mbm by Molmil
NSP4 proteinase from Equine Arteritis Virus
Descriptor: chymotrypsin-like serine protease
Authors:Barrette-Ng, I.H, Ng, K.K.-S, Mark, B.L, van Aken, D, Cherney, M.M, Garen, C, Kolodenko, Y, Gorbalenya, A.E, Snijder, E.J, James, M.N.G.
Deposit date:2002-08-03
Release date:2002-10-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Arterivirus nsp4: the smallest chymotrypsin-like proteinase with an alpha/beta C-terminal extension and alternate conformations of the oxyanion hole
J.Biol.Chem., 277, 2002
5V6A
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BU of 5v6a by Molmil
Crystal structure of the Middle East respiratory syndrome coronavirus papain-like protease bound to ubiquitin variant ME.2
Descriptor: CHLORIDE ION, CITRATE ANION, ME.2, ...
Authors:Bailey-Elkin, B.A, Mark, B.L.
Deposit date:2017-03-16
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Potent and selective inhibition of pathogenic viruses by engineered ubiquitin variants.
PLoS Pathog., 13, 2017

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数据于2024-07-17公开中

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