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7D17
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BU of 7d17 by Molmil
Crystal structure of Macrostomum lignano glutaminyl cyclase
Descriptor: Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
Deposit date:2020-09-14
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.998 Å)
Cite:A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7D1E
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BU of 7d1e by Molmil
Crystal structure of Bacteroides thetaiotaomicron glutaminyl cyclase bound to N-acetylhistamine
Descriptor: Leucine aminopeptidase, N-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDE, ZINC ION
Authors:Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
Deposit date:2020-09-14
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7BR9
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BU of 7br9 by Molmil
Crystal structure of mus musculus IRG1
Descriptor: Cis-aconitate decarboxylase
Authors:Park, H.H, Chun, H.L.
Deposit date:2020-03-27
Release date:2021-02-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The crystal structure of mouse IRG1 suggests that cis-aconitate decarboxylase has an open and closed conformation.
Plos One, 15, 2020
3N2X
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BU of 3n2x by Molmil
Crystal structure of YagE, a prophage protein belonging to the dihydrodipicolinic acid synthase family from E. coli K12 in complex with pyruvate
Descriptor: 1,2-ETHANEDIOL, Uncharacterized protein yagE
Authors:Bhaskar, V, Kumar, P.M, Manicka, S, Krishnaswamy, S.
Deposit date:2010-05-19
Release date:2011-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of biochemical and putative biological role of a xenolog from Escherichia coli using structural analysis.
Proteins, 79, 2011
6TV2
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BU of 6tv2 by Molmil
Heme d1 biosynthesis associated Protein NirF
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, Protein NirF, ...
Authors:Kluenemann, T, Layer, G, Blankenfeldt, W.
Deposit date:2020-01-08
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.561 Å)
Cite:Crystal structure of NirF: insights into its role in heme d 1 biosynthesis.
Febs J., 288, 2021
1HLY
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BU of 1hly by Molmil
SOLUTION STRUCTURE OF HONGOTOXIN 1
Descriptor: HONGOTOXIN 1
Authors:Pragl, B, Koschak, A, Trieb, M, Obermair, G, Kaufmann, W.A, Gerster, U, Blanc, E, Hahn, C, Prinz, H, Schutz, G, Darbon, H, Gruber, H.J, Knaus, H.G.
Deposit date:2000-12-04
Release date:2003-09-30
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Synthesis, characterization, and application of cy-dye- and alexa-dye-labeled hongotoxin(1) analogues. The first high affinity fluorescence probes for voltage-gated K+ channels.
BIOCONJUG.CHEM., 13, 2002
3NEV
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BU of 3nev by Molmil
Crystal structure of YagE, a prophage protein from E. coli K12 in complex with KDGal
Descriptor: 1,2-ETHANEDIOL, 3-DEOXY-D-LYXO-HEXONIC ACID, Uncharacterized protein yagE
Authors:Bhaskar, V, Kumar, P.M, Manicka, S, Krishnaswamy, S.
Deposit date:2010-06-09
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Identification of biochemical and putative biological role of a xenolog from Escherichia coli using structural analysis.
Proteins, 79, 2011
6TYR
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BU of 6tyr by Molmil
Crystal structure of Laccase from Thermus thermophilus HB27 with a close conformation of its beta-hairpin
Descriptor: CITRIC ACID, COPPER (II) ION, GLYCEROL, ...
Authors:Miranda-Blancas, R, Rudino-Pinera, E.
Deposit date:2019-08-09
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.813 Å)
Cite:The beta-hairpin from the Thermus thermophilus HB27 laccase works as a pH-dependent switch to regulate laccase activity.
J.Struct.Biol., 213, 2021
6TV9
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BU of 6tv9 by Molmil
Heme d1 biosynthesis associated Protein NirF in complex with dihydro-heme d1
Descriptor: HEME D, Protein NirF,Protein NirF
Authors:Kluenemann, T, Layer, G, Blankenfeldt, W.
Deposit date:2020-01-09
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Crystal structure of NirF: insights into its role in heme d 1 biosynthesis.
Febs J., 288, 2021
6T65
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BU of 6t65 by Molmil
Crsytal structure of Acinetobacter baumannii FabG inhibitor complex at 2.35 A resolution
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase, ethyl 6-bromanyl-2-[(dimethylamino)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
3N2C
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BU of 3n2c by Molmil
Crystal structure of prolidase eah89906 complexed with n-methylphosphonate-l-proline
Descriptor: 1-[(R)-hydroxy(methyl)phosphoryl]-L-proline, PROLIDASE, ZINC ION
Authors:Patskovsky, Y, Xu, C, Sauder, J.M, Burley, S.K, Raushel, F.M, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-05-17
Release date:2010-06-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Functional identification and structure determination of two novel prolidases from cog1228 in the amidohydrolase superfamily .
Biochemistry, 49, 2010
7CYG
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BU of 7cyg by Molmil
Crystal structure of a cysteine-pair mutant (Y113C-P190C) of a bacterial bile acid transporter before disulfide bond formation
Descriptor: Transporter, sodium/bile acid symporter family
Authors:Wang, X, Lyu, Y, Ji, Y, Sun, Z, Zhou, X.
Deposit date:2020-09-03
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.198 Å)
Cite:An engineered disulfide bridge traps and validates an outward-facing conformation in a bile acid transporter.
Acta Crystallogr D Struct Biol, 77, 2021
6UBQ
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BU of 6ubq by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 100 K
Descriptor: 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Yabukarski, F, Herschlag, D.
Deposit date:2019-09-12
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.2991 Å)
Cite:Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UCW
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BU of 6ucw by Molmil
Multi-conformer model of Apo Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 250 K
Descriptor: CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase
Authors:Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S.
Deposit date:2019-09-17
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
7CYK
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BU of 7cyk by Molmil
Crystal structure of a second cysteine-pair mutant (V110C-I197C) of a bacterial bile acid transporter before disulfide bond formation
Descriptor: MERCURY (II) ION, Transporter, sodium/bile acid symporter family
Authors:Wang, X, Lyu, Y, Ji, Y, Sun, Z, Zhou, X.
Deposit date:2020-09-03
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.785 Å)
Cite:An engineered disulfide bridge traps and validates an outward-facing conformation in a bile acid transporter.
Acta Crystallogr D Struct Biol, 77, 2021
3FSJ
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BU of 3fsj by Molmil
Crystal structure of benzoylformate decarboxylase in complex with the inhibitor MBP
Descriptor: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, CALCIUM ION
Authors:Brandt, G.S, Kenyon, G.L, McLeish, M.J, Jordan, F, Petsko, G.A, Ringe, D.
Deposit date:2009-01-09
Release date:2009-01-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Snapshot of a reaction intermediate: analysis of benzoylformate decarboxylase in complex with a benzoylphosphonate inhibitor.
Biochemistry, 48, 2009
6U4I
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BU of 6u4i by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to Equilenin at 280 K
Descriptor: CHLORIDE ION, EQUILENIN, MAGNESIUM ION, ...
Authors:Yabukarski, F, Herschlag, D.
Deposit date:2019-08-25
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
6TZD
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BU of 6tzd by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 280 K
Descriptor: 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Yabukarski, F, Herschlag, D.
Deposit date:2019-08-12
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4507 Å)
Cite:Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U1Z
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BU of 6u1z by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 280 K
Descriptor: CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase
Authors:Yabukarski, F, Herschlag, D.
Deposit date:2019-08-18
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5005 Å)
Cite:Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
8PJ0
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BU of 8pj0 by Molmil
Pseudomonas aeruginosa FabF C164A mutant in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylbutanamide
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O.
Deposit date:2023-06-22
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
3NRC
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BU of 3nrc by Molmil
Crystal Structure of the Francisella tularensis enoyl-acyl carrier protein reductase (FabI) in complex with NAD+ and triclosan
Descriptor: Enoyl-[acyl-carrier-protein] reductase (NADH), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Mehboob, S, Santarsiero, B.D, Truong, K, Johnson, M.E.
Deposit date:2010-06-30
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structure of the Francisella tularensis enoyl-acyl carrier protein reductase (FabI) in complex with NAD(+) and triclosan.
Acta Crystallogr.,Sect.F, 66, 2010
5C04
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BU of 5c04 by Molmil
Crystal structure of the F37H mutant AhpE from Mycobacterium tuberculosis
Descriptor: Putative peroxiredoxin MT2298
Authors:Pallo, A, Dufe, V.T, Messens, J.
Deposit date:2015-06-12
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The active site architecture in peroxiredoxins: a case study on Mycobacterium tuberculosis AhpE.
Chem.Commun.(Camb.), 52, 2016
5F3H
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BU of 5f3h by Molmil
Structure of myostatin in complex with humanized RK35 antibody
Descriptor: Growth/differentiation factor 8, humanized RK35 antibody heavy chain, humanized RK35 antibody light chain
Authors:Parris, K.D, Mosyak, L.
Deposit date:2015-12-02
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Beyond CDR-grafting: Structure-guided humanization of framework and CDR regions of an anti-myostatin antibody.
Mabs, 8, 2016
5W8W
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BU of 5w8w by Molmil
Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 - new refinement
Descriptor: Metallo-beta-lactamase type 2, SULFATE ION, UNKNOWN ATOM OR ION, ...
Authors:Gonzalez, J.M, Shabalin, I.G, Raczynska, J.E, Jaskolski, M, Minor, W, Wlodawer, A, Gonzalez, M.M, Vila, A.J.
Deposit date:2017-06-22
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
5F3B
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BU of 5f3b by Molmil
Structure of myostatin in complex with chimeric RK35 antibody
Descriptor: GLYCEROL, Growth/differentiation factor 8, RK35 Chimeric antibody heavy chain, ...
Authors:Parris, K.D, Mosyak, L.
Deposit date:2015-12-02
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Beyond CDR-grafting: Structure-guided humanization of framework and CDR regions of an anti-myostatin antibody.
Mabs, 8, 2016

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