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2ZFN
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BU of 2zfn by Molmil
Self-acetylation mediated histone H3 lysine 56 acetylation by rtt109
Descriptor: ACETYL COENZYME *A, GLYCEROL, Regulator of Ty1 transposition protein 109
Authors:Yuan, Y.A.
Deposit date:2008-01-08
Release date:2008-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into histone h3 lysine 56 acetylation by rtt109
Structure, 16, 2008
6KAK
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BU of 6kak by Molmil
Crystal structure of FKRP in complex with Mg ion
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fukutin-related protein, MAGNESIUM ION, ...
Authors:Kuwabara, N.
Deposit date:2019-06-23
Release date:2020-01-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.056 Å)
Cite:Crystal structures of fukutin-related protein (FKRP), a ribitol-phosphate transferase related to muscular dystrophy.
Nat Commun, 11, 2020
2ZJP
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BU of 2zjp by Molmil
Thiopeptide antibiotic Nosiheptide bound to the large ribosomal subunit of Deinococcus radiodurans
Descriptor: 4-(hydroxymethyl)-3-methyl-1H-indole-2-carboxylic acid, 50S RIBOSOMAL PROTEIN L11, 50S RIBOSOMAL PROTEIN L13, ...
Authors:Harms, J.M, Wilson, D.N, Schluenzen, F, Connell, S.R, Stachelhaus, T, Zaborowska, Z, Spahn, C.M.T, Fucini, P.
Deposit date:2008-03-07
Release date:2008-06-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Translational Regulation Via L11: Molecular Switches on the Ribosome Turned on and Off by Thiostrepton and Micrococcin.
Mol.Cell, 30, 2008
2NTW
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BU of 2ntw by Molmil
Bacteriorhodopsin, wild type, after illumination to produce the L intermediate
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Lanyi, J.K, Schobert, B.
Deposit date:2006-11-08
Release date:2006-12-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural changes in the L photointermediate of bacteriorhodopsin.
J.Mol.Biol., 365, 2007
6KAM
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BU of 6kam by Molmil
Crystal structure of FKRP in complex with Ba ion, CDP-ribtol, and sugar acceptor
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, BARIUM ION, ...
Authors:Kuwabara, N.
Deposit date:2019-06-23
Release date:2020-01-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Crystal structures of fukutin-related protein (FKRP), a ribitol-phosphate transferase related to muscular dystrophy.
Nat Commun, 11, 2020
2ZGS
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BU of 2zgs by Molmil
Crystal structure of Agrocybe aegerita lectin AAL mutant L47A
Descriptor: Anti-tumor lectin
Authors:Li, D.F, Yang, N, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
6KBW
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BU of 6kbw by Molmil
Crystal structure of Tmm from Myroides profundi D25
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethylamine monooxygenase
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2019-06-26
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.686 Å)
Cite:Oxidation of trimethylamine to trimethylamine N-oxide facilitates high hydrostatic pressure tolerance in a generalist bacterial lineage.
Sci Adv, 7, 2021
2NVE
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BU of 2nve by Molmil
Soluble domain of Rieske Iron Sulfur Protein
Descriptor: FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, Ubiquinol-cytochrome c reductase iron-sulfur subunit
Authors:Kolling, D.K, Brunzelle, J.S, Lhee, S, Crofts, A.R, Nair, S.K.
Deposit date:2006-11-12
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Atomic resolution structures of rieske iron-sulfur protein: role of hydrogen bonds in tuning the redox potential of iron-sulfur clusters.
Structure, 15, 2007
6QYL
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BU of 6qyl by Molmil
Structure of MBP-Mcl-1 in complex with compound 8a
Descriptor: (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ...
Authors:Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A.
Deposit date:2019-03-09
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
5V7Q
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BU of 5v7q by Molmil
Cryo-EM structure of the large ribosomal subunit from Mycobacterium tuberculosis bound with a potent linezolid analog
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Yang, K, Chang, J.-Y, Cui, Z, Zhang, J.
Deposit date:2017-03-20
Release date:2017-09-20
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into species-specific features of the ribosome from the human pathogen Mycobacterium tuberculosis.
Nucleic Acids Res., 45, 2017
2NVG
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BU of 2nvg by Molmil
Soluble domain of Rieske Iron Sulfur protein.
Descriptor: FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, Ubiquinol-cytochrome c reductase iron-sulfur subunit
Authors:Kolling, D, Brunzelle, J, Lhee, S, Crofts, A.R, Nair, S.K.
Deposit date:2006-11-12
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Atomic resolution structures of rieske iron-sulfur protein: role of hydrogen bonds in tuning the redox potential of iron-sulfur clusters.
Structure, 15, 2007
2ZL6
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BU of 2zl6 by Molmil
Atomic resolution structural characterization of recognition of histo-blood group antigens by Norwalk virus
Descriptor: 58 kd capsid protein, ACETATE ION, MAGNESIUM ION, ...
Authors:Choi, J.M, Huston, A.M, Estes, M.K, Prasad, B.V.V.
Deposit date:2008-04-02
Release date:2008-07-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Atomic resolution structural characterization of recognition of histo-blood group antigens by Norwalk virus
Proc.Natl.Acad.Sci.Usa, 105, 2008
6KDN
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BU of 6kdn by Molmil
HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:dGTP ternary complex
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ...
Authors:Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
Deposit date:2019-07-02
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine.
Sci Rep, 10, 2020
6KDJ
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BU of 6kdj by Molmil
HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:lamivudine 5'-triphosphate ternary complex
Descriptor: DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ...
Authors:Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
Deposit date:2019-07-02
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine.
Sci Rep, 10, 2020
6CGF
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BU of 6cgf by Molmil
Crystal structure of HIV-1 Y188L mutant reverse transcriptase in complex with non-nucleoside inhibitor K-5a2
Descriptor: 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ...
Authors:Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A.
Deposit date:2018-02-20
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
2ZPN
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BU of 2zpn by Molmil
The crystal structure of Saccharomyces cerevisiae Atg8- Atg19(412-415) complex
Descriptor: Autophagy-related protein 8, SULFATE ION, Saccharomyces cerevisiae Atg19(412-415)
Authors:Noda, N.N, Inagaki, F.
Deposit date:2008-07-17
Release date:2008-12-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of target recognition by Atg8/LC3 during selective autophagy
Genes Cells, 13, 2008
2NXT
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BU of 2nxt by Molmil
Structural and kinetic effects of hydrophobic mutations in the active site of human carbonic anhydrase II
Descriptor: ZINC ION, carbonic anhydrase 2
Authors:Fisher, S.Z, McKenna, R.
Deposit date:2006-11-19
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Speeding Up Proton Transfer in a Fast Enzyme: Kinetic and Crystallographic Studies on the Effect of Hydrophobic Amino Acid Substitutions in the Active Site of Human Carbonic Anhydrase II.
Biochemistry, 46, 2007
6CHN
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BU of 6chn by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)ethyl)phenoxy)piperidine-1-carboxylate
Descriptor: DI(HYDROXYETHYL)ETHER, Phosphopantetheine adenylyltransferase, SULFATE ION, ...
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-22
Release date:2018-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
6CCM
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BU of 6ccm by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-((3-bromobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Descriptor: 2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6CCS
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BU of 6ccs by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(trifluoromethyl)-1H-benzo[d]imidazol-4-ol
Descriptor: 2-(trifluoromethyl)-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6QZD
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BU of 6qzd by Molmil
HLA-DR1 with SGP Influenza Matrix Peptide
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Greenshields-Watson, A, Rizkallah, P.J.
Deposit date:2019-03-11
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:CD4+T Cells Recognize Conserved Influenza A Epitopes through Shared Patterns of V-Gene Usage and Complementary Biochemical Features.
Cell Rep, 32, 2020
6CCP
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BU of 6ccp by Molmil
EFFECT OF ARGININE-48 REPLACEMENT ON THE REACTION BETWEEN CYTOCHROME C PEROXIDASE AND HYDROGEN PEROXIDE
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wang, J, Miller, M.A, Kraut, J.
Deposit date:1993-06-07
Release date:1993-10-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Effect of arginine-48 replacement on the reaction between cytochrome c peroxidase and hydrogen peroxide.
Biochemistry, 32, 1993
6QRI
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BU of 6qri by Molmil
Structure of rabbit G-actin in complex with chivosazole A
Descriptor: (2~{R},3~{R},5~{S},6~{E},8~{E},10~{Z},12~{S},13~{R},16~{Z},18~{E},20~{Z},22~{E},24~{R},25~{S},26~{E},28~{Z})-13-[(2~{S},3~{S},5~{S})-3,5-bis(oxidanyl)hexan-2-yl]-25-[(2~{R},3~{R},4~{S},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-5-oxidanyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Schneider, S, Wang, S, Zahler, S.
Deposit date:2019-02-19
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Chivosazole A Modulates Protein-Protein Interactions of Actin.
J.Nat.Prod., 82, 2019
5V4W
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BU of 5v4w by Molmil
Human glucokinase in complex with novel indazole activator.
Descriptor: (2S)-2-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide, Glucokinase, IODIDE ION, ...
Authors:Skene, R.J, Hosfield, D.J.
Deposit date:2017-03-10
Release date:2017-05-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery of potent and orally active 1,4-disubstituted indazoles as novel allosteric glucokinase activators.
Bioorg. Med. Chem. Lett., 27, 2017
5V54
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BU of 5v54 by Molmil
Crystal structure of 5-HT1B receptor in complex with methiothepin
Descriptor: 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine, 5-hydroxytryptamine receptor 1B,OB-1 fused 5-HT1b receptor,5-hydroxytryptamine receptor 1B
Authors:Yin, W.C, Zhou, X.E, Yang, D, de Waal, P, Wang, M.T, Dai, A, Cai, X, Huang, C.Y, Liu, P, Yin, Y, Liu, B, Caffrey, M, Melcher, K, Xu, Y, Wang, M.W, Xu, H.E, Jiang, Y.
Deposit date:2017-03-13
Release date:2018-02-07
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:A common antagonistic mechanism for class A GPCRs revealed by the structure of the human 5-HT1B serotonin receptor bound to an antagonist
Cell Discov, 2018

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