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3KRY
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BU of 3kry by Molmil
Crystal structure of MMP-13 in complex with SC-78080
Descriptor: 1-(2-methoxyethyl)-N-oxo-4-({4-[4-(trifluoromethoxy)phenoxy]phenyl}sulfonyl)piperidine-4-carboxamide, CALCIUM ION, Collagenase 3, ...
Authors:Kiefer, J.R, Williams, J.M, Becker, D.P.
Deposit date:2009-11-19
Release date:2010-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Orally-active MMP-1 sparing alpha-tetrahydropyranyl and alpha-piperidinyl sulfone matrix metalloproteinase (MMP) inhibitors with efficacy in cancer, arthritis, and cardiovascular disease
J.Med.Chem., 53, 2010
8UW6
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BU of 8uw6 by Molmil
Acetylornithine deacetylase from Escherichia coli, di-zinc form.
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acetylornithine deacetylase, ...
Authors:Osipiuk, J, Endres, M, Kelley, E, Becker, D.P, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2023-11-06
Release date:2024-05-29
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:N alpha-acetyl-L-ornithine deacetylase from Escherichia coli and a ninhydrin-based assay to enable inhibitor identification.
Front Chem, 12, 2024
4F21
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BU of 4f21 by Molmil
Crystal structure of carboxylesterase/phospholipase family protein from Francisella tularensis
Descriptor: Carboxylesterase/phospholipase family protein, N-((1R,2S)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound form
Authors:Filippova, E.V, Minasov, G, Kuhn, M, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Winsor, J.R, Kiryukhina, O, Becker, D.P, Armoush, N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-05-07
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Large scale structural rearrangement of a serine hydrolase from Francisella tularensis facilitates catalysis.
J.Biol.Chem., 288, 2013
7RSF
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BU of 7rsf by Molmil
Acetylornithine deacetylase from Escherichia coli
Descriptor: Acetylornithine deacetylase, CHLORIDE ION, GLYCEROL, ...
Authors:Osipiuk, J, Endres, M, Becker, D.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-08-11
Release date:2021-08-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Acetylornithine deacetylase from Escherichia coli
To Be Published
3O2X
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BU of 3o2x by Molmil
MMP-13 in complex with selective tetrazole core inhibitor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Collagenase 3, ...
Authors:Kiefer, J.R, Barta, T.E, Becker, D.P, Mathis, K.J, Williams, J.
Deposit date:2010-07-22
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:MMP-13 in complex with selective tetrazole core inhibitor
To be Published
7KPS
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BU of 7kps by Molmil
Structure of a GNAT superfamily PA3944 acetyltransferase in complex with AcCoA
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL COENZYME *A, ...
Authors:Czub, M.P, Porebski, P.J, Cymborowski, M, Reidl, C.T, Becker, D.P, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-11-12
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Gcn5-Related N- Acetyltransferases (GNATs) With a Catalytic Serine Residue Can Play Ping-Pong Too.
Front Mol Biosci, 8, 2021
7LGP
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BU of 7lgp by Molmil
DapE enzyme from Shigella flexneri
Descriptor: CHLORIDE ION, SODIUM ION, Succinyl-diaminopimelate desuccinylase, ...
Authors:Osipiuk, J, Endres, M, Becker, D.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-01-20
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:DapE enzyme from Shigella flexneri
To Be Published
6EDD
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BU of 6edd by Molmil
Crystal structure of a GNAT Superfamily PA3944 acetyltransferase in complex with CoA (P1 space group)
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acetyltransferase PA3944, ...
Authors:Czub, M.P, Porebski, P.J, Majorek, K.A, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-08-09
Release date:2018-08-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Gcn5-Related N-Acetyltransferase (GNAT) Capable of Acetylating Polymyxin B and Colistin Antibiotics in Vitro.
Biochemistry, 57, 2018
6EDV
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BU of 6edv by Molmil
Structure of a GNAT superfamily acetyltransferase PA3944 in complex with CoA
Descriptor: 1,2-ETHANEDIOL, Acetyltransferase PA3944, CALCIUM ION, ...
Authors:Majorek, K.A, Satchell, K.J.F, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-08-12
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A Gcn5-Related N-Acetyltransferase (GNAT) Capable of Acetylating Polymyxin B and Colistin Antibiotics in Vitro.
Biochemistry, 57, 2018
6UXZ
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BU of 6uxz by Molmil
(S)-4-Amino-5-phenoxypentanoate as a Selective Agonist of the Transcription Factor GabR
Descriptor: (4S)-4-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-5-phenoxypentanoic acid, HTH-type transcriptional regulatory protein GabR, SULFATE ION
Authors:Catlin, D.S, Liu, D.
Deposit date:2019-11-09
Release date:2020-10-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:(S)-4-Amino-5-phenoxypentanoate designed as a potential selective agonist of the bacterial transcription factor GabR.
Protein Sci., 29, 2020
5VO3
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BU of 5vo3 by Molmil
Crystal structure of DapE in complex with the products (succinic acid and diaminopimelic acid)
Descriptor: 2,6-DIAMINOPIMELIC ACID, SUCCINIC ACID, Succinyl-diaminopimelate desuccinylase, ...
Authors:Nocek, B.
Deposit date:2017-05-01
Release date:2018-07-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Structural Evidence of a Major Conformational Change Triggered by Substrate Binding in DapE Enzymes: Impact on the Catalytic Mechanism.
Biochemistry, 57, 2018
5VDB
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BU of 5vdb by Molmil
Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with bisubstrate analog 3
Descriptor: (3R,5S,9R,26S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,20-trioxo-26-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name), SULFATE ION, acetyltransferase PA4794
Authors:Majorek, K.A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2017-04-01
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Generating enzyme and radical-mediated bisubstrates as tools for investigating Gcn5-related N-acetyltransferases.
FEBS Lett., 591, 2017
5VD6
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BU of 5vd6 by Molmil
Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with bisubstrate analog 6
Descriptor: (3R,5S,9R,23S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-23-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatetracosan-24-oic acid 3,5-dioxide (non-preferred name), SULFATE ION, acetyltransferase PA4794
Authors:Majorek, K.A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2017-04-01
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Generating enzyme and radical-mediated bisubstrates as tools for investigating Gcn5-related N-acetyltransferases.
FEBS Lett., 591, 2017
7KYJ
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BU of 7kyj by Molmil
Structure of a GNAT superfamily PA3944 acetyltransferase in complex with zinc
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Acetyltransferase PA3944, ...
Authors:Czub, M.P, Porebski, P.J, Cymborowski, M, Shabalin, I.G, Reidl, C.T, Becker, D.P, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-12-07
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a GNAT superfamily PA3944 acetyltransferase in complex with zinc
To Be Published
7L5F
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BU of 7l5f by Molmil
Crystal Structure of N-(2-oxocyclobutyl) decanamide Bound AiiA-Co
Descriptor: 4-(decanoylamino)butanoic acid, COBALT (II) ION, GLYCEROL, ...
Authors:Mascarenhas, R.N, Liu, D.
Deposit date:2020-12-22
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Cyclobutanone Inhibitor of Cobalt-Functionalized Metallo-gamma-Lactonase AiiA with Cyclobutanone Ring Opening in the Active Site.
Acs Omega, 6, 2021
7KPP
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BU of 7kpp by Molmil
Structure of the E102A mutant of a GNAT superfamily PA3944 acetyltransferase
Descriptor: 1,2-ETHANEDIOL, Acetyltransferase PA3944, COENZYME A, ...
Authors:Czub, M.P, Porebski, P.J, Majorek, K.A, Cymborowski, M, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-11-12
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Gcn5-Related N- Acetyltransferases (GNATs) With a Catalytic Serine Residue Can Play Ping-Pong Too.
Front Mol Biosci, 8, 2021

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PDB entries from 2024-09-18

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