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4V4D
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Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter acidigallici complexed with pyrogallol
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, BENZENE-1,2,3-TRIOL, CALCIUM ION, ...
Authors:Messerschmidt, A, Niessen, H, Abt, D, Einsle, O, Schink, B, Kroneck, P.M.H.
Deposit date:2004-06-02
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of pyrogallol-phloroglucinol transhydroxylase, an Mo enzyme capable of intermolecular hydroxyl transfer between phenols
PROC.NATL.ACAD.SCI.USA, 101, 2004
4V4N
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BU of 4v4n by Molmil
Structure of the Methanococcus jannaschii ribosome-SecYEBeta channel complex
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein L7AE, ...
Authors:Menetret, J.F, Park, E, Gumbart, J.C, Ludtke, S.J, Li, W, Whynot, A, Rapoport, T.A, Akey, C.W.
Deposit date:2013-06-17
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Structure of the SecY channel during initiation of protein translocation.
Nature, 506, 2013
4V6K
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BU of 4v6k by Molmil
Structural insights into cognate vs. near-cognate discrimination during decoding.
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Agirrezabala, X, Schreiner, E, Trabuco, L.G, Lei, J, Ortiz-Meoz, R.F, Schulten, K, Green, R, Frank, J.
Deposit date:2011-01-07
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (8.25 Å)
Cite:Structural insights into cognate versus near-cognate discrimination during decoding.
Embo J., 30, 2011
4V6U
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BU of 4v6u by Molmil
Promiscuous behavior of proteins in archaeal ribosomes revealed by cryo-EM: implications for evolution of eukaryotic ribosomes
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10P, ...
Authors:Armache, J.-P, Anger, A.M, Marquez, V, Frankenberg, S, Froehlich, T, Villa, E, Berninghausen, O, Thomm, M, Arnold, G.J, Beckmann, R, Wilson, D.N.
Deposit date:2012-08-09
Release date:2014-07-09
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Promiscuous behaviour of archaeal ribosomal proteins: Implications for eukaryotic ribosome evolution.
Nucleic Acids Res., 41, 2013
4V8V
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Structure and conformational variability of the Mycobacterium tuberculosis fatty acid synthase multienzyme complex
Descriptor: FLAVIN MONONUCLEOTIDE, TYPE-I FATTY ACID SYNTHASE
Authors:Ciccarelli, L, Connell, S.R, Enderle, M, Mills, D.J, Vonck, J, Grininger, M.
Deposit date:2013-04-18
Release date:2014-07-09
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Structure and Conformational Variability of the Mycobacterium Tuberculosis Fatty Acid Synthase Multienzyme Complex.
Structure, 21, 2013
4DQR
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BU of 4dqr by Molmil
Ternary complex of Bacillus DNA Polymerase I Large Fragment E658A, DNA duplex, and rCTP (paired with dG of template) in presence of Mn2+
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*GP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), ...
Authors:Wang, W, Beese, L.S.
Deposit date:2012-02-16
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides.
J.Biol.Chem., 287, 2012
4DBW
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BU of 4dbw by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin
Descriptor: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid
Authors:Chen, M, Christianson, D.W, Marnett, L.J, Penning, T.M.
Deposit date:2012-01-16
Release date:2013-03-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17 beta-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer.
J.Med.Chem., 56, 2013
4DRQ
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BU of 4drq by Molmil
Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-1-((S)-1-(3,5-dichlorophenylsulfonyl)piperidine-2-carbonyloxy)-3-(3,4-dimethoxy -phenyl)propyl)phenoxy)acetic acid
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1S)-1-[({(2S)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid
Authors:Gopalakrishnan, R, Kozany, C, Wang, Y, Hoogeland, B, Bracher, A, Hausch, F, Schneider, S.
Deposit date:2012-02-17
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1 Å)
Cite:Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
5JBN
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BU of 5jbn by Molmil
Crystal Structure of Apo Phosphopantetheine Adenylyltransferase (PPAT/CoaD) from E. coli
Descriptor: DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Proudfoot, A, Bussiere, D.
Deposit date:2016-04-13
Release date:2016-05-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Facilitating unambiguous NMR assignments and enabling higher probe density through selective labeling of all methyl containing amino acids.
J.Biomol.Nmr, 65, 2016
1QL7
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BU of 1ql7 by Molmil
FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN
Descriptor: CALCIUM ION, SULFATE ION, TRYPSIN, ...
Authors:Stubbs, M.T.
Deposit date:1999-08-24
Release date:2000-08-25
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ph-Dependent Binding Modes Observed in Trypsin Crystals: Lessons for the Structure-Based Drug Design
Chembiochem, 3, 2002
4V7I
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BU of 4v7i by Molmil
Ribosome-SecY complex.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Gumbart, J.C, Trabuco, L.G, Schreiner, E, Villa, E, Schulten, K.
Deposit date:2009-10-21
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (9.6 Å)
Cite:Regulation of the protein-conducting channel by a bound ribosome.
Structure, 17, 2009
3J1U
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BU of 3j1u by Molmil
Low affinity dynein microtubule binding domain - tubulin complex
Descriptor: Cytoplasmic dynein 1 heavy chain 1, seryl t-RNA synthetase chimera, Tubulin alpha-1B chain, ...
Authors:Redwine, W.B, Hernandez-Lopez, R, Zou, S, Huang, J, Reck-Peterson, S.L, Leschziner, A.E.
Deposit date:2012-06-25
Release date:2012-09-26
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (9.7 Å)
Cite:Structural basis for microtubule binding and release by dynein.
Science, 337, 2012
4UTO
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BU of 4uto by Molmil
Crystal structure of pneumococcal surface antigen PsaA D280N in the Cd-bound, open state
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN
Authors:Luo, Z, Counago, R.M, Maher, M, Kobe, B.
Deposit date:2014-07-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniae.
Nat Commun, 6, 2015
4UQV
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BU of 4uqv by Molmil
methanococcus jannaschii serine hydroxymethyl-transferase in complex with PLP
Descriptor: PYRIDOXAL-5'-PHOSPHATE, SERINE HYDROXYMETHYLTRANSFERASE
Authors:Saccoccia, F, Angelucci, F, Ilari, A.
Deposit date:2014-06-25
Release date:2014-07-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Crystal Structure of Archaeal Serine Hydroxymethyltransferase Reveals Idiosyncratic Features Likely Required to Withstand High Temperatures.
Proteins, 82, 2014
3JZO
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BU of 3jzo by Molmil
Human MDMX liganded with a 12mer peptide (pDI)
Descriptor: POTASSIUM ION, Protein Mdm4, pDI peptide (12mer)
Authors:Schonbrunn, E, Phan, J.
Deposit date:2009-09-23
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
4DKT
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BU of 4dkt by Molmil
Crystal structure of human peptidylarginine deiminase 4 in complex with N-acetyl-L-threonyl-L-alpha-aspartyl-N5-[(1E)-2-fluoroethanimidoyl]-L-ornithinamide
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Protein-arginine deiminase type-4, ...
Authors:Jones, J.E, Slack, J.L, Fang, P, Zhang, X, Subramanian, V, Causey, C.P, Coonrod, S.A, Guo, M, Thompson, P.R.
Deposit date:2012-02-04
Release date:2012-02-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Synthesis and Screening of a Haloacetamidine Containing Library To Identify PAD4 Selective Inhibitors.
Acs Chem.Biol., 7, 2012
4DNA
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BU of 4dna by Molmil
CRYSTAL STRUCTURE OF putative glutathione reductase from Sinorhizobium meliloti 1021
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Probable glutathione reductase
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-02-08
Release date:2012-03-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:CRYSTAL STRUCTURE OF putative glutathione reductase from Sinorhizobium meliloti 1021
To be Published
4V66
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BU of 4v66 by Molmil
Structure of the E. coli ribosome and the tRNAs in Post-accommodation state
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Devkota, B, Caulfield, T.R, Tan, R.-Z, Harvey, S.C.
Deposit date:2008-08-03
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (9 Å)
Cite:The Structure of the E. coli Ribosome Before and After Accommodation: Implications for Proofreading
To be Published
3K5M
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BU of 3k5m by Molmil
Crystal structure of E.coli Pol II-abasic DNA-ddGTP Lt(-2, 2) ternary complex
Descriptor: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*TP*CP*CP*TP*GP*(3DR)P*AP*CP*GP*CP*TP*AP*GP*GP*CP*AP*CP*A)-3'), ...
Authors:Yang, W, Wang, F.
Deposit date:2009-10-07
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural insight into translesion synthesis by DNA Pol II.
Cell(Cambridge,Mass.), 139, 2009
4V6L
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BU of 4v6l by Molmil
Structural insights into cognate vs. near-cognate discrimination during decoding.
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Agirrezabala, X, Schreiner, E, Trabuco, L.G, Lei, J, Ortiz-Meoz, R.F, Schulten, K, Green, R, Frank, J.
Deposit date:2011-01-07
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (13.2 Å)
Cite:Structural insights into cognate versus near-cognate discrimination during decoding.
Embo J., 30, 2011
4V6V
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BU of 4v6v by Molmil
Tetracycline resistance protein Tet(O) bound to the ribosome
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Li, W, Atkinson, G.C, Thakor, N.S, Allas, U, Lu, C, Chan, K.Y, Tenson, T, Schulten, K, Wilson, K.S, Hauryliuk, V, Frank, J.
Deposit date:2013-02-25
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (9.8 Å)
Cite:Mechanism of tetracycline resistance by ribosomal protection protein Tet(O).
Nat Commun, 4, 2013
4DLJ
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BU of 4dlj by Molmil
Human p38 MAP kinase in complex with RL163
Descriptor: 2-phenyl-N~4~-(2-phenylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14
Authors:Gruetter, C, Termathe, M.
Deposit date:2012-02-06
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fluorophore labeled kinase detects ligands that bind within the MAPK insert of p38alpha kinase.
Plos One, 7, 2012
4DP3
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BU of 4dp3 by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with P218 and NADPH
Descriptor: 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D.
Deposit date:2012-02-13
Release date:2012-11-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target
Proc.Natl.Acad.Sci.USA, 109, 2012
4DU9
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BU of 4du9 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A/V74A at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Caro, J.A, Clark, I, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
Deposit date:2012-02-21
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Pressure effects in proteins
To be Published
4DPY
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BU of 4dpy by Molmil
Crystal structure of Staphylococcus epidermidis S192A mevalonate diphosphate decarboxylase complexed with inhibitor DPGP
Descriptor: 1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline, Mevalonate diphosphate decarboxylase
Authors:Barta, M.L, McWhorter, W.J, Geisbrecht, B.V.
Deposit date:2012-02-14
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural basis for nucleotide binding and reaction catalysis in mevalonate diphosphate decarboxylase.
Biochemistry, 51, 2012

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