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7SJY
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BU of 7sjy by Molmil
Crystal structure of Clostridium thermocellum RsgI9 S1C-NTF2 bi-domain
Descriptor: Anti-sigma-I factor RsgI9, GLYCEROL
Authors:Mahoney, B.J, Cascio, D, Clubb, R.T.
Deposit date:2021-10-19
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of the Clostridium thermocellum RsgI9 ectodomain provides insight into the mechanism of biomass sensing.
Proteins, 90, 2022
4N2P
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BU of 4n2p by Molmil
Structure of Archease from Pyrococcus horikoshii
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T.
Deposit date:2013-10-05
Release date:2014-01-01
Last modified:2020-09-23
Method:X-RAY DIFFRACTION (1.435 Å)
Cite:A tRNA splicing operon: Archease endows RtcB with dual GTP/ATP cofactor specificity and accelerates RNA ligation.
Nucleic Acids Res., 42, 2014
3L0E
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BU of 3l0e by Molmil
X-ray crystal structure of a Potent Liver X Receptor Modulator
Descriptor: N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide, Nuclear receptor coactivator 2, Oxysterols receptor LXR-beta
Authors:Gampe Jr, R.T.
Deposit date:2009-12-09
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of tertiary sulfonamides as potent liver X receptor antagonists.
J.Med.Chem., 53, 2010
7JR6
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BU of 7jr6 by Molmil
H-PDGS complexed with a 2-phenylimidazo[1,2-a]pyridine-6-carboxamide inhibitors
Descriptor: 1-(3-fluorophenyl)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase, ...
Authors:Nolte, R.T, Somers, D.O, Gampe, R.T.
Deposit date:2020-08-11
Release date:2021-05-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors.
Bioorg.Med.Chem.Lett., 47, 2021
7JR8
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BU of 7jr8 by Molmil
H-PDGS complexed with a 2-phenylimidazo[1,2-a]pyridine-6-carboxamide inhibitors
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLUTATHIONE, ...
Authors:Nolte, R.T, Somers, D.O, Gampe, R.T.
Deposit date:2020-08-11
Release date:2021-05-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors.
Bioorg.Med.Chem.Lett., 47, 2021
6R4L
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BU of 6r4l by Molmil
Crystal structure of S. cerevisia Niemann-Pick type C protein NCR1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ERGOSTEROL, NPC intracellular cholesterol transporter 1-related protein 1, ...
Authors:Winkler, M.B.L, Kidmose, R.T, Pedersen, B.P.
Deposit date:2019-03-22
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural Insight into Eukaryotic Sterol Transport through Niemann-Pick Type C Proteins.
Cell, 179, 2019
6R4N
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BU of 6r4n by Molmil
Crystal structure of S. cerevisia Niemann-Pick type C protein NPC2 with ergosterol bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ERGOSTEROL, ...
Authors:Winkler, M.B.L, Kidmose, R.T, Pedersen, B.P.
Deposit date:2019-03-22
Release date:2019-09-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Insight into Eukaryotic Sterol Transport through Niemann-Pick Type C Proteins.
Cell, 179, 2019
6R4M
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BU of 6r4m by Molmil
Crystal structure of S. cerevisia Niemann-Pick type C protein NPC2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Phosphatidylglycerol/phosphatidylinositol transfer protein
Authors:Winkler, M.B.L, Kidmose, R.T, Pedersen, B.P.
Deposit date:2019-03-22
Release date:2019-09-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Insight into Eukaryotic Sterol Transport through Niemann-Pick Type C Proteins.
Cell, 179, 2019
5JI3
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BU of 5ji3 by Molmil
HslUV complex
Descriptor: 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, ATP-dependent protease subunit HslV
Authors:Grant, R.A, Sauer, R.T, Schmitz, K.R, Baytshtok, V.
Deposit date:2016-04-21
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:A Structurally Dynamic Region of the HslU Intermediate Domain Controls Protein Degradation and ATP Hydrolysis.
Structure, 24, 2016
5IYS
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BU of 5iys by Molmil
Crystal structure of a dehydrosqualene synthase in complex with ligand
Descriptor: MAGNESIUM ION, Phytoene synthase, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ...
Authors:Liu, G.Z, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2016-03-24
Release date:2017-03-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of a dehydrosqualene synthase in complex with ligand
to be published
6DKQ
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BU of 6dkq by Molmil
Crystal structure of the Shr Hemoglobin Interacting Domain 2
Descriptor: Heme-binding protein Shr, SULFATE ION
Authors:Macdonald, R, Cascio, D, Collazo, M.J, Clubb, R.T.
Deposit date:2018-05-30
Release date:2018-10-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Streptococcus pyogenes Shr protein captures human hemoglobin using two structurally unique binding domains.
J.Biol.Chem., 293, 2018
6DN1
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BU of 6dn1 by Molmil
CRYSTAL STRUCTURE OF THE FMN RIBOSWITCH BOUND TO BRX1151 SPLIT RNA
Descriptor: 10-(6-carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Vicens, Q, Mondragon, E, Reyes, F.E, Berman, J, Kaur, H, Kells, K, Wickens, P, Wilson, J, Gadwood, R, Schostarez, H, Suto, R.K, Coish, P, Blount, K.F, Batey, R.T.
Deposit date:2018-06-05
Release date:2018-09-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch.
ACS Chem. Biol., 13, 2018
3L0U
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BU of 3l0u by Molmil
The crystal structure of unmodified tRNAPhe from Escherichia coli
Descriptor: MAGNESIUM ION, POTASSIUM ION, Unmodified tRNAPhe
Authors:Byrne, R.T, Konevega, A.L, Rodnina, M.V, Antson, A.A.
Deposit date:2009-12-10
Release date:2010-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:The crystal structure of unmodified tRNAPhe from Escherichia coli
Nucleic Acids Res., 38, 2010
3LH1
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BU of 3lh1 by Molmil
Q191A mutant of the DegS-deltaPDZ
Descriptor: Protease degS
Authors:Sohn, J, Grant, R.A, Sauer, R.T.
Deposit date:2010-01-21
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.507 Å)
Cite:Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution.
J.Biol.Chem., 285, 2010
2QF0
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BU of 2qf0 by Molmil
Structure of the delta PDZ truncation of the DegS protease
Descriptor: Protease degS
Authors:Sohn, J, Grant, R.A, Sauer, R.T.
Deposit date:2007-06-26
Release date:2007-12-11
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Allosteric activation of DegS, a stress sensor PDZ protease.
Cell(Cambridge,Mass.), 131, 2007
2QGR
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BU of 2qgr by Molmil
Structure of the R178A mutant of delta PDZ DegS protease
Descriptor: Protease degS
Authors:Sohn, J, Grant, R.A, Sauer, R.T.
Deposit date:2007-06-29
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allosteric activation of DegS, a stress sensor PDZ protease.
Cell(Cambridge,Mass.), 131, 2007
6LAA
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BU of 6laa by Molmil
Crystal structure of full-length CYP116B46 from Tepidiphilus thermophilus
Descriptor: 1,2-ETHANEDIOL, CARBONATE ION, Cytochrome P450, ...
Authors:Zhang, L.L, Ko, T.P, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-11-12
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.
Nat Commun, 11, 2020
6KQW
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BU of 6kqw by Molmil
Crystal structure of Yijc from B. subtilis
Descriptor: CITRIC ACID, Uncharacterized UDP-glucosyltransferase YjiC
Authors:Hu, Y.M, Dai, L.H, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-08-20
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural dissection of unnatural ginsenoside-biosynthetic UDP-glycosyltransferase Bs-YjiC from Bacillus subtilis for substrate promiscuity.
Biochem.Biophys.Res.Commun., 534, 2021
6LDL
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BU of 6ldl by Molmil
Crystal structure of CYP116B46-N(20-445) from Tepidiphilus thermophilus in complex with HEME
Descriptor: BICINE, Cytochrome P450, GLYCEROL, ...
Authors:Zhang, L.L, Xie, Z.Z, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-11-21
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.
Nat Commun, 11, 2020
830C
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BU of 830c by Molmil
COLLAGENASE-3 (MMP-13) COMPLEXED TO A SULPHONE-BASED HYDROXAMIC ACID
Descriptor: 4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE, CALCIUM ION, MMP-13, ...
Authors:Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F.
Deposit date:1998-08-06
Release date:1999-08-06
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors.
Nat.Struct.Biol., 6, 1999
7QPB
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BU of 7qpb by Molmil
Catalytic C-lobe of the HECT-type ubiquitin ligase E6AP in complex with a hybrid foldamer-peptide macrocycle
Descriptor: Isoform I of Ubiquitin-protein ligase E3A, hybrid foldamer-peptide macrocycle
Authors:Dengler, S, Howard, R.T, Morozov, V, Tsiamantas, C, Douat, C, Suga, H, Huc, I.
Deposit date:2022-01-03
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.342 Å)
Cite:Display Selection of a Hybrid Foldamer-Peptide Macrocycle.
Angew.Chem.Int.Ed.Engl., 62, 2023
2EZI
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BU of 2ezi by Molmil
SOLUTION NMR STRUCTURE OF THE IGAMMA SUBDOMAIN OF THE MU END DNA BINDING DOMAIN OF MU PHAGE TRANSPOSASE, 30 STRUCTURES
Descriptor: TRANSPOSASE
Authors:Clore, G.M, Clubb, R.T, Schumaker, S, Gronenborn, A.M.
Deposit date:1997-07-25
Release date:1997-12-03
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the I gamma subdomain of the Mu end DNA-binding domain of phage Mu transposase.
J.Mol.Biol., 273, 1997
2EZL
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BU of 2ezl by Molmil
SOLUTION NMR STRUCTURE OF THE IBETA SUBDOMAIN OF THE MU END DNA BINDING DOMAIN OF PHAGE MU TRANSPOSASE, 29 STRUCTURES
Descriptor: TRANSPOSASE
Authors:Clore, G.M, Clubb, R.T, Schumaker, S, Gronenborn, A.M.
Deposit date:1997-10-04
Release date:1998-01-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the Mu end DNA-binding ibeta subdomain of phage Mu transposase: modular DNA recognition by two tethered domains.
EMBO J., 16, 1997
966C
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BU of 966c by Molmil
CRYSTAL STRUCTURE OF FIBROBLAST COLLAGENASE-1 COMPLEXED TO A DIPHENYL-ETHER SULPHONE BASED HYDROXAMIC ACID
Descriptor: CALCIUM ION, MMP-1, N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE, ...
Authors:Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F.
Deposit date:1998-08-07
Release date:1999-08-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors.
Nat.Struct.Biol., 6, 1999
9BUN
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BU of 9bun by Molmil
RhoBAST aptamer RNA in complex with 5(6)-carboxytetramethylrhodamine
Descriptor: 5-carboxy methylrhodamine, IRIDIUM HEXAMMINE ION, RNA (48-MER)
Authors:Batey, R.T, Siwik, S.H.
Deposit date:2024-05-17
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of RhoBAST RNA aptamer in complex with 5(6)-carboxytetramethylrhodamine (TAMRA)
To Be Published

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