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PDB: 42391 results

4ZVI
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BU of 4zvi by Molmil
GYRASE B IN COMPLEX WITH 4,5-DIBROMOPYRROLAMIDE-BASED INHIBITOR
Descriptor: DNA gyrase subunit B, IODIDE ION, N-(4-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine
Authors:Zidar, N, Macut, H, Tomasic, T, Brvar, M, Montalvao, S, Tammela, P, Solmajer, T, Peterlin Masic, L, Ilas, J, Kikelj, D.
Deposit date:2015-05-18
Release date:2015-07-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:N-Phenyl-4,5-dibromopyrrolamides and N-Phenylindolamides as ATP Competitive DNA Gyrase B Inhibitors: Design, Synthesis, and Evaluation.
J.Med.Chem., 58, 2015
6U09
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BU of 6u09 by Molmil
Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking
Descriptor: 3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride, Eukaryotic translation initiation factor 4E
Authors:Wan, X.B, Shoichet, B.K, Taunton, J.
Deposit date:2019-08-13
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking.
J.Am.Chem.Soc., 142, 2020
3G6O
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BU of 3g6o by Molmil
Crystal structure of P. aeruginosa bacteriophytochrome PaBphP photosensory core domain mutant Q188L
Descriptor: BILIVERDINE IX ALPHA, Bacteriophytochrome
Authors:Yang, X, Kuk, J, Moffat, K.
Deposit date:2009-02-07
Release date:2009-09-22
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Conformational differences between the Pfr and Pr states in Pseudomonas aeruginosa bacteriophytochrome
Proc.Natl.Acad.Sci.USA, 106, 2009
3TLH
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BU of 3tlh by Molmil
STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITHAN EFFICIENT INHIBITOR OF FIV PR
Descriptor: PROTEIN (PROTEASE), benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
Authors:Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A.
Deposit date:1998-12-03
Release date:1998-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
2POL
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BU of 2pol by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE BETA SUBUNIT OF ESCHERICHIA COLI DNA POLYMERASE III HOLOENZYME: A SLIDING DNA CLAMP
Descriptor: DNA POLYMERASE III (BETA SUBUNIT)
Authors:Kong, X.-P, Kuriyan, J.
Deposit date:1992-11-13
Release date:1994-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three-dimensional structure of the beta subunit of E. coli DNA polymerase III holoenzyme: a sliding DNA clamp.
Cell(Cambridge,Mass.), 69, 1992
5I68
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BU of 5i68 by Molmil
Alcohol oxidase from Pichia pastoris
Descriptor: Alcohol oxidase 1, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION
Authors:Vonck, J, Mills, D.J, Parcej, D.N.
Deposit date:2016-02-16
Release date:2016-08-03
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Structure of Alcohol Oxidase from Pichia pastoris by Cryo-Electron Microscopy.
Plos One, 11, 2016
3FQO
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BU of 3fqo by Molmil
Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-[3-(2,5-dimethoxyphenyl)prop-1-ynyl]-6-ethylpyrimidine (UCP120B)
Descriptor: 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase
Authors:Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N.
Deposit date:2009-01-07
Release date:2009-03-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structures of wild-type and mutant methicillin-resistant Staphylococcus aureus dihydrofolate reductase reveal an alternate conformation of NADPH that may be linked to trimethoprim resistance.
J.Mol.Biol., 387, 2009
2PL2
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BU of 2pl2 by Molmil
Crystal structure of TTC0263: a thermophilic TPR protein in Thermus thermophilus HB27
Descriptor: Hypothetical conserved protein TTC0263
Authors:Lim, H, Kim, K, Han, D, Oh, J.
Deposit date:2007-04-18
Release date:2008-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of TTC0263, a thermophilic TPR protein from Thermus thermophilus HB27.
Mol.Cell, 24, 2007
3FR4
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BU of 3fr4 by Molmil
N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte Fatty-Acid Binding Protein (A-FABP) inhibitors
Descriptor: 9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid, Fatty acid-binding protein, adipocyte
Authors:Barf, T, Hammer, K, Lehmann, F, Haile, S, Axen, E, Medina, C, Uppenberg, J, Svensson, S, Rondahl, L, Lundb ck, T.
Deposit date:2009-01-08
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte fatty-acid binding protein (A-FABP) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
4ZSG
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BU of 4zsg by Molmil
MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR
Descriptor: 3-amino-5-[(4-chlorophenyl)amino]-N-(propan-2-yl)-1H-1,2,4-triazole-1-carboxamide, GLYCEROL, Mitogen-activated protein kinase 7
Authors:Tucker, J, Ogg, D.J.
Deposit date:2015-05-13
Release date:2016-05-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site.
Acta Crystallogr D Struct Biol, 72, 2016
2PLR
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BU of 2plr by Molmil
Crystal structure of dTMP kinase (st1543) from Sulfolobus Tokodaii Strain7
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Kanaujia, S.P, Jeyakanthan, J, Rafi, Z.A, Sekar, K, Nakagawa, N, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-20
Release date:2008-04-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of dTMP kinase (st1543) from Sulfolobus Tokodaii Strain7
To be Published
3TJI
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BU of 3tji by Molmil
CRYSTAL STRUCTURE OF AN ENOLASE FROM ENTEROBACTER sp. 638 (EFI TARGET EFI-501662) with BOUND MG
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2011-08-24
Release date:2011-09-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of an enolase from enterobacter sp. 638 (efi target efi-501662) with boung mg
to be published
3FRV
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BU of 3frv by Molmil
Structure of Human CHMP3 (residues 1-150)
Descriptor: Charged multivesicular body protein 3
Authors:Hill, C.P, Schubert, H.L, McCullough, J, Sundquist, W.I.
Deposit date:2009-01-08
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural basis for ESCRT-III protein autoinhibition.
Nat.Struct.Mol.Biol., 16, 2009
3TJZ
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BU of 3tjz by Molmil
Crystal Structure of Arf1 Bound to the gamma/zeta-COP Core Complex
Descriptor: ADP-ribosylation factor 1, Coatomer subunit gamma, Coatomer subunit zeta-1, ...
Authors:Goldberg, J, Yu, X, Breitman, M.
Deposit date:2011-08-25
Release date:2012-02-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A structure-based mechanism for arf1-dependent recruitment of coatomer to membranes.
Cell(Cambridge,Mass.), 148, 2012
6M6B
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BU of 6m6b by Molmil
Cryo-EM structure of Thermus thermophilus Mfd in complex with RNA polymerase and ATP-gamma-S
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Shi, J, Wen, A, Feng, Y.
Deposit date:2020-03-14
Release date:2020-10-14
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis of Mfd-dependent transcription termination.
Nucleic Acids Res., 48, 2020
3U14
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BU of 3u14 by Molmil
Structure of D50A-fructofuranosidase from Schwanniomyces occidentalis complexed with inulin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fructofuranosidase, beta-D-fructofuranose-(2-1)-beta-D-fructofuranose-(2-1)-beta-D-fructofuranose-(2-1)-beta-D-fructofuranose-(2-1)-beta-D-fructofuranose-(2-1)-beta-D-fructofuranose
Authors:Sainz-Polo, M.A, Sanz-Aparicio, J.
Deposit date:2011-09-29
Release date:2012-04-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural and kinetic insights reveal that the amino acid pair GLN228/ASN254 modulates the transfructosylating specificity of Schwanniomyces occidentalis beta-fructofuranosidase, an enzyme that produces prebiotics.
J.Biol.Chem., 287, 2012
6M3Q
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BU of 6m3q by Molmil
Crystal structure of AnkB/beta4-spectrin complex
Descriptor: Ankyrin-2, Spectrin beta chain
Authors:Li, J, Chen, K, Zhu, R, Zhang, M.
Deposit date:2020-03-04
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.436 Å)
Cite:Structural Basis Underlying Strong Interactions between Ankyrins and Spectrins.
J.Mol.Biol., 432, 2020
3U26
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BU of 3u26 by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR48
Descriptor: PF00702 domain protein
Authors:Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-30
Release date:2011-11-23
Last modified:2022-03-02
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction.
Acs Chem.Biol., 8, 2013
6U5H
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BU of 6u5h by Molmil
CryoEM Structure of Pyocin R2 - precontracted - hub
Descriptor: Probable bacteriophage protein Pyocin R2
Authors:Ge, P, Avaylon, J, Scholl, D, Shneider, M.M, Browning, C, Buth, S.A, Plattner, M, Ding, K, Leiman, P.G, Miller, J.F, Zhou, Z.H.
Deposit date:2019-08-27
Release date:2020-04-15
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Action of a minimal contractile bactericidal nanomachine.
Nature, 580, 2020
5AJD
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BU of 5ajd by Molmil
Not1 C-terminal domain in complex with Not4
Descriptor: CDC39P, GENERAL NEGATIVE REGULATOR OF TRANSCRIPTION SUBUNIT 4
Authors:Bhaskar, V, Basquin, J, Conti, E.
Deposit date:2015-02-23
Release date:2015-04-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Architecture of the Ubiquitylation Module of the Yeast Ccr4-not Complex.
Structure, 23, 2015
4ZXR
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BU of 4zxr by Molmil
Structure of Thaumatin wrapped in graphene within vacuum
Descriptor: GLYCEROL, L(+)-TARTARIC ACID, Thaumatin-1
Authors:Aller, P, Warren, A.J, Trincao, J, Evans, G.
Deposit date:2015-05-20
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:In vacuo X-ray data collection from graphene-wrapped protein crystals.
Acta Crystallogr.,Sect.D, 71, 2015
2PPY
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BU of 2ppy by Molmil
Crystal structure of Enoyl-CoA hydrates (gk_1992) from Geobacillus Kaustophilus HTA426
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Enoyl-CoA hydratase
Authors:Kanaujia, S.P, Jeyakanthan, J, Kavyashree, M, Sekar, K, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-05-01
Release date:2008-05-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of Enoyl-CoA hydrates (gk_1992) from Geobacillus Kaustophilus HTA426
To be Published
4U1U
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BU of 4u1u by Molmil
Crystal structure of the E. coli ribosome bound to quinupristin.
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D.
Deposit date:2014-07-16
Release date:2014-07-30
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Synergy of streptogramin antibiotics occurs independently of their effects on translation.
Antimicrob.Agents Chemother., 58, 2014
3FVU
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BU of 3fvu by Molmil
Crystal Structure of Human Kynurenine Aminotransferase I in Complex with Indole-3-acetic Acid
Descriptor: 1H-INDOL-3-YLACETIC ACID, GLYCEROL, Kynurenine--oxoglutarate transaminase 1, ...
Authors:Han, Q, Robinson, H, Cai, T, Tagle, D.A, Li, J.
Deposit date:2009-01-16
Release date:2009-05-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insight into the inhibition of human kynurenine aminotransferase I/glutamine transaminase K
J.Med.Chem., 52, 2009
3TKL
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BU of 3tkl by Molmil
Crystal structure of the GTP-bound Rab1a in complex with the coiled-coil domain of LidA from Legionella pneumophila
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, LidA protein, substrate of the Dot/Icm system, ...
Authors:Cheng, W, Yin, K, Lu, D, Li, B, Zhu, D, Chen, Y, Zhang, H, Xu, S, Chai, J, Gu, L.
Deposit date:2011-08-27
Release date:2012-06-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.183 Å)
Cite:Structural insights into a unique Legionella pneumophila effector LidA recognizing both GDP and GTP bound Rab1 in their active state
Plos Pathog., 8, 2012

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