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5BNR
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BU of 5bnr by Molmil
E. coli Fabh with small molecule inhibitor 2
Descriptor: 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 3
Authors:Kazmirski, S.L, McKinney, D.C.
Deposit date:2015-05-26
Release date:2016-05-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
5B60
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BU of 5b60 by Molmil
Crystal structure of PtLCIB4 S47R mutant, a homolog of the limiting CO2-inducible protein LCIB
Descriptor: CHLORIDE ION, PtLCIB4 S47R mutant, ZINC ION
Authors:Jin, S, Sun, J, Wunder, T, Tang, D, Mueller-Caja, O.M, Gao, Y.
Deposit date:2016-05-24
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into the LCIB protein family reveals a new group of beta-carbonic anhydrases
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5BQS
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BU of 5bqs by Molmil
S. Pneumoniae Fabh with small molecule inhibitor 4
Descriptor: 1-{5-[2-chloro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 3, SODIUM ION
Authors:Kazmirski, S.L, McKinney, D.C.
Deposit date:2015-05-29
Release date:2016-05-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
5B5Y
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BU of 5b5y by Molmil
Crystal structure of PtLCIB4, a homolog of the limiting CO2-inducible protein LCIB
Descriptor: ACETATE ION, PtLCIB4, ZINC ION
Authors:Jin, S, Sun, J, Wunder, T, Tang, D, Mueller-Cajar, O.M, Gao, Y.
Deposit date:2016-05-24
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into the LCIB protein family reveals a new group of beta-carbonic anhydrases
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5BNS
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BU of 5bns by Molmil
E. coli Fabh with small molecule inhibitor 2
Descriptor: 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide, 3-oxoacyl-[acyl-carrier-protein] synthase 3
Authors:Kazmirski, S.L, McKinney, D.C.
Deposit date:2015-05-26
Release date:2016-05-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
5BWV
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BU of 5bwv by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.86A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-06-08
Release date:2015-07-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5CD3
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BU of 5cd3 by Molmil
Structure of immature VRC01-class antibody DRVIA7
Descriptor: DRVIA7 Heavy Chain, DRVIA7 Light Chain
Authors:Kong, L, Wilson, I.A.
Deposit date:2015-07-02
Release date:2016-04-06
Last modified:2018-09-05
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Key gp120 Glycans Pose Roadblocks to the Rapid Development of VRC01-Class Antibodies in an HIV-1-Infected Chinese Donor.
Immunity, 44, 2016
5BWT
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BU of 5bwt by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.20A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE FRAGMENT AND AN INTERNAL ALDIMINE LINKED PLP.
Descriptor: 1,2-ETHANEDIOL, 5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-06-08
Release date:2015-07-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5CEZ
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BU of 5cez by Molmil
Crystal Structure of the BG505 SOSIP gp140 HIV-1 Env trimer in Complex with an early putative precursor of the PGT121 family at 3.0 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35022 Fab Heavy Chain, ...
Authors:Wilson, I.A, Garces, F.
Deposit date:2015-07-08
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.031 Å)
Cite:Affinity Maturation of a Potent Family of HIV Antibodies Is Primarily Focused on Accommodating or Avoiding Glycans.
Immunity, 43, 2015
5BWX
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BU of 5bwx by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.70A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 4-CHLORO-2-FLUORO SUBSTITUTED PYRAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-06-08
Release date:2015-07-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5CJQ
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BU of 5cjq by Molmil
Crystal structure of a trimeric influenza hemagglutinin stem in complex with an broadly neutralizing antibody CR9114
Descriptor: CR9114 heavy chain, CR9114 light chain, Designed influenza hemagglutinin stem #4900, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2015-07-14
Release date:2015-09-09
Last modified:2015-09-30
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:A stable trimeric influenza hemagglutinin stem as a broadly protective immunogen.
Science, 349, 2015
5BWR
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BU of 5bwr by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.20A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE FRAGMENT AND AN INTERNAL ALDIMINE LINKED PLP.
Descriptor: 1,2-ETHANEDIOL, 5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.
Deposit date:2015-06-08
Release date:2015-07-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5CEY
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BU of 5cey by Molmil
Crystal Structure of Fab 9H+3L, a putative precursor of the PGT121 family of potent HIV-1 antibodies
Descriptor: 1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL, Antibody 9H+3L Fab heavy chain, Antibody 9H+3L Fab light chain, ...
Authors:Wilson, I.A, Garces, F.
Deposit date:2015-07-07
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.387 Å)
Cite:Affinity Maturation of a Potent Family of HIV Antibodies Is Primarily Focused on Accommodating or Avoiding Glycans.
Immunity, 43, 2015
5CJS
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BU of 5cjs by Molmil
Crystal structure of a monomeric influenza hemagglutinin stem in complex with an broadly neutralizing antibody CR9114
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CR9114 heavy chain, CR9114 light chain, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2015-07-15
Release date:2015-09-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:A stable trimeric influenza hemagglutinin stem as a broadly protective immunogen.
Science, 349, 2015
5CZK
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BU of 5czk by Molmil
Structure of E. coli beta-glucuronidase bound with a novel, potent inhibitor 1-((6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea
Descriptor: 1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea, Beta-glucuronidase
Authors:Roberts, A.R, Wallace, B.R, Redinbo, M.R.
Deposit date:2015-07-31
Release date:2015-10-14
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
5AK7
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BU of 5ak7 by Molmil
Structure of wt Porphyromonas gingivalis peptidylarginine deiminase
Descriptor: 1,2-ETHANEDIOL, ALANINE, ARGININE, ...
Authors:Kopec, J, Montgomery, A, Shrestha, L, Kiyani, W, Nowak, R, Burgess-Brown, N, Venables, P.J, Yue, W.W.
Deposit date:2015-03-02
Release date:2015-07-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal Structure of Porphyromonas Gingivalis Peptidylarginine Deiminase: Implications for Autoimmunity in Rheumatoid Arthritis.
Ann.Rheum.Dis., 75, 2016
5BNM
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BU of 5bnm by Molmil
E. coli FabH with Small Molecule Inhibitor 1
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 3, N-{[3'-(hydroxymethyl)biphenyl-4-yl]methyl}benzenesulfonamide, SULFATE ION, ...
Authors:Kazmirski, S.L, McKinney, D.C.
Deposit date:2015-05-26
Release date:2016-05-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
5B5Z
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BU of 5b5z by Molmil
Crystal structure of PtLCIB4 H88A mutant, a homolog of the limiting CO2-inducible protein LCIB
Descriptor: PtLCIB4 H88A mutant, ZINC ION
Authors:Jin, S, Sun, J, Wunder, T, Tang, D, Mueller-Caja, O.M, Gao, Y.
Deposit date:2016-05-24
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into the LCIB protein family reveals a new group of beta-carbonic anhydrases
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSA
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BU of 5dsa by Molmil
Crystal structure of Holliday junctions stabilized by 5-methylcytosine in GCC junction core
Descriptor: 5'-D(*CP*CP*GP*GP*CP*GP*5CMP*CP*GP*G)-3', CALCIUM ION
Authors:Vander Zanden, C.M, Ho, P.S.
Deposit date:2015-09-17
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6896 Å)
Cite:Effect of Hydroxymethylcytosine on the Structure and Stability of Holliday Junctions.
Biochemistry, 55, 2016
5DSB
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BU of 5dsb by Molmil
Crystal structure of Holliday junctions stabilized by 5-hydroxymethylcytosine in GCC junction core
Descriptor: 5'-D(*CP*CP*GP*GP*CP*GP*5HCP*CP*GP*G)-3', CALCIUM ION
Authors:Vander Zanden, C.M, Rowe, R.K, Broad, A.J, Ho, P.S.
Deposit date:2015-09-17
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4959 Å)
Cite:Effect of Hydroxymethylcytosine on the Structure and Stability of Holliday Junctions.
Biochemistry, 55, 2016
5BWU
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BU of 5bwu by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.17A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TRIAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-06-08
Release date:2015-07-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5BWW
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BU of 5bww by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.82A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRROLIDINE AMIDE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-06-08
Release date:2015-07-01
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5CD5
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BU of 5cd5 by Molmil
Crystal structure of an immature VRC01-class antibody DRVIA7 from a Chinese donor bound to clade A/E HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 93TH057 HIV-1 gp120 core, ...
Authors:Kong, L, Wilson, I.A.
Deposit date:2015-07-03
Release date:2016-04-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.396 Å)
Cite:Key gp120 Glycans Pose Roadblocks to the Rapid Development of VRC01-Class Antibodies in an HIV-1-Infected Chinese Donor.
Immunity, 44, 2016
5CEX
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BU of 5cex by Molmil
Crystal Structure of Fab 32H+109L, a putative precursor of the PGT121 family of potent HIV-1 antibodies
Descriptor: Antibody 9H+3L Fab heavy chain, Antibody 9H+3L Fab light chain, GLYCEROL, ...
Authors:Garces, F, Wilson, I.A.
Deposit date:2015-07-07
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:Affinity Maturation of a Potent Family of HIV Antibodies Is Primarily Focused on Accommodating or Avoiding Glycans.
Immunity, 43, 2015
5DLI
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BU of 5dli by Molmil
Corkscrew assembly of SOD1 residues 28-38
Descriptor: GLYCEROL, IODIDE ION, Superoxide dismutase [Cu-Zn]
Authors:Sangwan, S, Zhao, A, Sawaya, M.R, Eisenberg, D.
Deposit date:2015-09-05
Release date:2016-09-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Atomic structure of a toxic, oligomeric segment of SOD1 linked to amyotrophic lateral sclerosis (ALS).
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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PDB entries from 2024-10-16

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