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8G93
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BU of 8g93 by Molmil
Crystal structures of 17-beta-hydroxysteroid dehydrogenase 13
Descriptor: 3-fluoro-N-({(1r,4r)-4-[(2-fluorophenoxy)methyl]-1-hydroxycyclohexyl}methyl)-4-hydroxybenzamide, Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Liu, S.
Deposit date:2023-02-21
Release date:2023-08-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural basis of lipid-droplet localization of 17-beta-hydroxysteroid dehydrogenase 13.
Nat Commun, 14, 2023
8G84
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BU of 8g84 by Molmil
Crystal structures of HSD17B13 complexes
Descriptor: Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Liu, S.
Deposit date:2023-02-17
Release date:2023-08-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.467 Å)
Cite:Structural basis of lipid-droplet localization of 17-beta-hydroxysteroid dehydrogenase 13.
Nat Commun, 14, 2023
8G89
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BU of 8g89 by Molmil
HSD17B13 in complex with cofactor and inhibitor
Descriptor: 3-fluoro-N-({(1r,4r)-4-[(2-fluorophenoxy)methyl]-1-hydroxycyclohexyl}methyl)-4-hydroxybenzamide, Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Liu, S.
Deposit date:2023-02-17
Release date:2023-08-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.222 Å)
Cite:Structural basis of lipid-droplet localization of 17-beta-hydroxysteroid dehydrogenase 13.
Nat Commun, 14, 2023
4YZK
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BU of 4yzk by Molmil
Crystal structure of the indole prenyltransferase TleC apo structure
Descriptor: Tryptophan dimethylallyltransferase
Authors:Mori, T, Morita, H, Abe, I.
Deposit date:2015-03-25
Release date:2016-03-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Manipulation of prenylation reactions by structure-based engineering of bacterial indolactam prenyltransferases.
Nat Commun, 7, 2016
8QQI
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BU of 8qqi by Molmil
E.coli DNA gyrase in complex with 217 bp substrate DNA and LEI-800
Descriptor: DNA gyrase subunit A, DNA gyrase subunit B, MAGNESIUM ION, ...
Authors:Ghilarov, D, Martin, N.I, van der Stelt, M.
Deposit date:2023-10-04
Release date:2024-06-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Discovery of isoquinoline sulfonamides as allosteric gyrase inhibitors with activity against fluoroquinolone-resistant bacteria.
Nat.Chem., 2024
4YZL
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BU of 4yzl by Molmil
Crystal structure of the indole prenyltransferase TleC complexed with indolactam V and DMSPP
Descriptor: (2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Tryptophan dimethylallyltransferase
Authors:Mori, T, Morita, H, Abe, I.
Deposit date:2015-03-25
Release date:2016-03-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Manipulation of prenylation reactions by structure-based engineering of bacterial indolactam prenyltransferases.
Nat Commun, 7, 2016
4PSW
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BU of 4psw by Molmil
Crystal structure of histone acetyltransferase complex
Descriptor: COENZYME A, Histone H4 type VIII, Histone acetyltransferase type B catalytic subunit, ...
Authors:Yang, M, Li, Y.
Deposit date:2014-03-08
Release date:2014-07-09
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Hat2p recognizes the histone H3 tail to specify the acetylation of the newly synthesized H3/H4 heterodimer by the Hat1p/Hat2p complex
Genes Dev., 28, 2014
1ULW
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BU of 1ulw by Molmil
Crystal structure of P450nor Ser73Gly/Ser75Gly mutant
Descriptor: Cytochrome P450 55A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Oshima, R, Fushinobu, S, Su, F, Li, Z, Takaya, N, Shoun, H.
Deposit date:2003-09-16
Release date:2004-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural evidence for direct hydride transfer from NADH to cytochrome P450nor
J.Mol.Biol., 342, 2004
4AQ3
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BU of 4aq3 by Molmil
HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR
Descriptor: APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide
Authors:Bertrand, J.A, Fasolini, M, Modugno, M.
Deposit date:2012-04-12
Release date:2012-06-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of a Phenylacylsulfonamide Series of Dual Bcl-2/Bcl-Xl Antagonists.
Bioorg.Med.Chem.Lett., 22, 2012
4YZJ
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BU of 4yzj by Molmil
Crystal structure of selnomethionin-labeled indole prenyltransferase TleC
Descriptor: Tryptophan dimethylallyltransferase
Authors:Mori, T, Matsui, T, Morita, H, Abe, I.
Deposit date:2015-03-25
Release date:2016-03-16
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (2.106 Å)
Cite:Manipulation of prenylation reactions by structure-based engineering of bacterial indolactam prenyltransferases.
Nat Commun, 7, 2016
3ROP
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BU of 3rop by Molmil
Crystal structure of human CD38 in complex with compound CZ-50b
Descriptor: 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribofuranose, ADP-ribosyl cyclase 1, NICOTINAMIDE
Authors:Zhang, H, Lee, H.C, Hao, Q.
Deposit date:2011-04-26
Release date:2011-12-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Catalysis-based inhibitors of the calcium signaling function of CD38.
Biochemistry, 51, 2012
3ROK
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BU of 3rok by Molmil
Crystal structure of human CD38 in complex with compound CZ-27
Descriptor: 5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinofuranose, ADP-ribosyl cyclase 1
Authors:Zhang, H, Lee, H.C, Hao, Q.
Deposit date:2011-04-26
Release date:2011-12-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Catalysis-based inhibitors of the calcium signaling function of CD38.
Biochemistry, 51, 2012
4FZD
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BU of 4fzd by Molmil
Crystal structure of MST4-MO25 complex with WSF motif
Descriptor: C-terminal peptide from Serine/threonine-protein kinase MST4, Calcium-binding protein 39, GLYCEROL, ...
Authors:Shi, Z.B, Zhou, Z.C.
Deposit date:2012-07-06
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
7D7L
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BU of 7d7l by Molmil
The crystal structure of SARS-CoV-2 papain-like protease in complex with YM155
Descriptor: 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione, CAFFEINE, GLYCEROL, ...
Authors:Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H.
Deposit date:2020-10-04
Release date:2021-04-21
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
7D7K
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BU of 7d7k by Molmil
The crystal structure of SARS-CoV-2 papain-like protease in apo form
Descriptor: 1,2-ETHANEDIOL, CAFFEINE, Non-structural protein 3, ...
Authors:Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H.
Deposit date:2020-10-04
Release date:2021-04-21
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
4Q9V
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BU of 4q9v by Molmil
Crystal structure of TIPE3
Descriptor: CHLORIDE ION, SULFATE ION, Tumor necrosis factor alpha-induced protein 8-like protein 3
Authors:Wu, J, Zhang, X, Chen, Y.H, Shi, Y.
Deposit date:2014-05-02
Release date:2014-10-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:TIPE3 Is the Transfer Protein of Lipid Second Messengers that Promote Cancer.
Cancer Cell, 26, 2014
6UMJ
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BU of 6umj by Molmil
Crystal structure of erenumab Fab-c
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-BUTANEDIOL, erenumab Fab heavy chain, ...
Authors:Mohr, C.
Deposit date:2019-10-09
Release date:2020-02-12
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
6UMG
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BU of 6umg by Molmil
Crystal structure of erenumab Fab bound to the extracellular domain of CGRP receptor
Descriptor: Calcitonin gene-related peptide type 1 receptor, Receptor activity-modifying protein 1, erenumab Fab heavy chain, ...
Authors:Mohr, C.
Deposit date:2019-10-09
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
7E24
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BU of 7e24 by Molmil
Crystal structure of SDR family NAD(P)-dependent oxidoreductase from Exiguobacterium
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase
Authors:Chen, L, Tang, J, Yuan, S.
Deposit date:2021-02-04
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7203 Å)
Cite:Structure-guided evolution of a ketoreductase forefficient and stereoselective bioreduction of bulkyalpha-aminobeta-keto esters
Catalysis Science And Technology, 2021
7E28
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BU of 7e28 by Molmil
Crystal structure of SDR family NAD(P)-dependent oxidoreductase from Exiguobacterium
Descriptor: Oxidoreductase
Authors:Chen, L, Tang, J, Yuan, S.
Deposit date:2021-02-05
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure-guided evolution of a ketoreductase forefficient and stereoselective bioreduction of bulkyalpha-aminobeta-keto esters
Catalysis Science And Technology, 2021
8UNH
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BU of 8unh by Molmil
Cryo-EM structure of T4 Bacteriophage Clamp Loader with Sliding Clamp
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Sliding clamp, ...
Authors:Huang, Y, Marcus, K, Subramanian, S, Gee, L.C, Gorday, K, Ghaffari-Kashani, S, Luo, X, Zhang, L, O'Donnell, M, Subramanian, S, Kuriyan, J.
Deposit date:2023-10-19
Release date:2023-12-13
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Autoinhibition of a clamp-loader ATPase revealed by deep mutagenesis and cryo-EM.
Nat.Struct.Mol.Biol., 31, 2024
8UNF
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BU of 8unf by Molmil
Cryo-EM structure of T4 Bacteriophage Clamp Loader with Sliding Clamp and DNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Sliding clamp, ...
Authors:Huang, Y, Marcus, K, Subramanian, S, Gee, L.C, Gorday, K, Ghaffari-Kashani, S, Luo, X, Zhang, L, O'Donnell, M, Subramanian, S, Kuriyan, J.
Deposit date:2023-10-18
Release date:2023-12-13
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Autoinhibition of a clamp-loader ATPase revealed by deep mutagenesis and cryo-EM.
Nat.Struct.Mol.Biol., 31, 2024
8J0P
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BU of 8j0p by Molmil
Chitin binding SusD-like protein AqSusD from a marine Bacteroidetes
Descriptor: Chitin binding SusD-like protein
Authors:Yang, J.
Deposit date:2023-04-11
Release date:2023-11-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights of a SusD-like protein in marine Bacteroidetes bacteria reveal the molecular basis for chitin recognition and acquisition.
Febs J., 291, 2024
8JNC
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BU of 8jnc by Molmil
Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-maltophilin
Descriptor: (1Z,3E,5S,8R,9S,10S,11R,13R,15R,16S,18Z,24S,25S)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-7,20,27,28-tetraone, Cytochrome P450, FORMIC ACID, ...
Authors:Zhang, Y.L, Zhang, L.P, Zhang, C.S.
Deposit date:2023-06-06
Release date:2023-11-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JNQ
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BU of 8jnq by Molmil
Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with a substrate compound c
Descriptor: (1Z,3E,5E,7S,8R,10S,11R,13R,15R,16E,18E,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.09,13.08,15]octacosa-1(2),3,5,16,18-pentaene-20,27,28-trione, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Jiang, P, Zhang, L.P, Zhang, C.S.
Deposit date:2023-06-06
Release date:2023-11-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023

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PDB entries from 2024-08-14

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