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8DY9
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BU of 8dy9 by Molmil
Streptomyces venezuelae RNAP unconstrained open promoter complex with WhiA and WhiB transcription factors
Descriptor: DNA (38-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Lilic, M, Campbell, E.A.
Deposit date:2022-08-03
Release date:2023-03-01
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Structural basis of dual activation of cell division by the actinobacterial transcription factors WhiA and WhiB.
Proc.Natl.Acad.Sci.USA, 120, 2023
3PED
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BU of 3ped by Molmil
Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis
Descriptor: (9Z)-11-{hydroxy[(5S)-6-{[(1S)-3-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)-6-oxohexyl]amino}-11-oxoundec-9-enoic acid, FE (III) ION, Neutrophil gelatinase-associated lipocalin, ...
Authors:Clifton, M.C.
Deposit date:2010-10-25
Release date:2011-10-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis
To be Published
3L03
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BU of 3l03 by Molmil
Crystal Structure of human Estrogen Receptor alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II peptide and Estetrol (Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol)
Descriptor: (14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol, CHLORIDE ION, Estrogen receptor, ...
Authors:Rajan, S.S, Kim, Y, Vanek, K, Joachimiak, A, Greene, G.L.
Deposit date:2009-12-09
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Crystal Structure of human Estrogen Receptor alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II peptide and Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol
To be Published
3PEC
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BU of 3pec by Molmil
Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis
Descriptor: 9-{hydroxy[(5S,6R)-6-hydroxy-6-{[(1S)-3-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)hexyl]amino}-9-oxononanoic acid, FE (III) ION, GLYCEROL, ...
Authors:Clifton, M.C.
Deposit date:2010-10-25
Release date:2011-10-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis
To be Published
5NJB
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BU of 5njb by Molmil
E. coli Microcin-processing metalloprotease TldD/E with actinonin bound
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACTINONIN, ...
Authors:Ghilarov, D, Serebryakova, M, Stevenson, C.E.M, Hearnshaw, S.J, Volkov, D, Maxwell, A, Lawson, D.M, Severinov, K.
Deposit date:2017-03-28
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Origins of Specificity in the Microcin-Processing Protease TldD/E.
Structure, 25, 2017
5OBH
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BU of 5obh by Molmil
Crystal structure of glycine binding protein in complex with bicuculline
Descriptor: (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dawson, A, Hunter, W.N, Jones, M.
Deposit date:2017-06-27
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Structural Rationale for N-Methylbicuculline Acting as a Promiscuous Competitive Antagonist of Inhibitory Pentameric Ligand-Gated Ion Channels.
Chembiochem, 21, 2020
8JE4
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BU of 8je4 by Molmil
Crystal structure of LimF prenyltransferase (H239G/W273T mutant) bound with the thiodiphosphate moiety of farnesyl S-thiolodiphosphate (FSPP)
Descriptor: MAGNESIUM ION, TRIHYDROGEN THIODIPHOSPHATE, prenyltransferase, ...
Authors:Hamada, K, Oguni, A, Zhang, Y, Satake, M, Goto, Y, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2023-05-15
Release date:2023-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Switching Prenyl Donor Specificities of Cyanobactin Prenyltransferases.
J.Am.Chem.Soc., 145, 2023
3OV8
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BU of 3ov8 by Molmil
Crystal structure of AF1382 from Archaeoglobus fulgidus, High resolution
Descriptor: ACETATE ION, CHLORIDE ION, Protein AF_1382
Authors:Zhu, J.-Y, Zhao, M, Fu, Z.-Q, Yang, H, Chang, J, Hao, X, Chen, L, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2010-09-16
Release date:2011-11-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8501 Å)
Cite:Structure of the Archaeoglobus fulgidus orphan ORF AF1382 determined by sulfur SAD from a moderately diffracting crystal.
Acta Crystallogr.,Sect.D, 68, 2012
5DTR
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BU of 5dtr by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD5 [N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine]
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-79 specific, N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine
Authors:Scheufler, C, Be, C, Moebitz, H, Stauffer, F.
Deposit date:2015-09-18
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Optimization of a Fragment-Based Screening Hit toward Potent DOT1L Inhibitors Interacting in an Induced Binding Pocket.
Acs Med.Chem.Lett., 7, 2016
3KCP
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BU of 3kcp by Molmil
Crystal structure of interacting Clostridium thermocellum multimodular components
Descriptor: CALCIUM ION, CHLORIDE ION, Cellulosomal-scaffolding protein A, ...
Authors:Adams, J.J, Currie, M.A, Bayer, E.A, Jia, Z, Smith, S.P.
Deposit date:2009-10-21
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Insights into Higher-Order Organization of the Cellulosome Revealed by a Dissect-and-Build Approach: Crystal Structure of Interacting Clostridium thermocellum Multimodular Components
J.Mol.Biol., 396, 2010
3O83
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BU of 3o83 by Molmil
Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 2-(4-n-dodecyl-1,2,3-triazol-1-yl)-5'-O-[N-(2-hydroxybenzoyl)sulfamoyl]adenosine
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-dodecyl-1H-1,2,3-triazol-1-yl)-5'-O-{[(2-hydroxyphenyl)carbonyl]sulfamoyl}adenosine, ...
Authors:Drake, E.J, Duckworth, B.P, Neres, J, Aldrich, C.C, Gulick, A.M.
Deposit date:2010-08-02
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Biochemical and structural characterization of bisubstrate inhibitors of BasE, the self-standing nonribosomal peptide synthetase adenylate-forming enzyme of acinetobactin synthesis.
Biochemistry, 49, 2010
3O3K
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BU of 3o3k by Molmil
Crystal structure of AF1382 from Archaeoglobus fulgidus
Descriptor: Uncharacterized protein AF_1382
Authors:Zhu, J.-Y, Zhao, M, Fu, Z.-Q, Yang, H, Chang, J, Xu, H, Chen, L, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2010-07-24
Release date:2010-08-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the Archaeoglobus fulgidus orphan ORF AF1382 determined by sulfur SAD from a moderately diffracting crystal.
Acta Crystallogr.,Sect.D, 68, 2012
1KPE
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BU of 1kpe by Molmil
PKCI-TRANSITION STATE ANALOG
Descriptor: ADENOSINE-5'-DITUNGSTATE, PROTEIN KINASE C INTERACTING PROTEIN
Authors:Lima, C.D, Klein, M.G, Hendrickson, W.A.
Deposit date:1997-09-25
Release date:1998-03-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based analysis of catalysis and substrate definition in the HIT protein family.
Science, 278, 1997
3O84
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BU of 3o84 by Molmil
Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid, ...
Authors:Drake, E.J, Duckworth, B.P, Neres, J, Aldrich, C.C, Gulick, A.M.
Deposit date:2010-08-02
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biochemical and structural characterization of bisubstrate inhibitors of BasE, the self-standing nonribosomal peptide synthetase adenylate-forming enzyme of acinetobactin synthesis.
Biochemistry, 49, 2010
3O82
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BU of 3o82 by Molmil
Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 5'-O-[N-(2,3-dihydroxybenzoyl)sulfamoyl] adenosine
Descriptor: 5'-O-{[(2,3-dihydroxyphenyl)carbonyl]sulfamoyl}adenosine, CALCIUM ION, Peptide arylation enzyme
Authors:Drake, E.J, Duckworth, B.P, Neres, J, Aldrich, C.C, Gulick, A.M.
Deposit date:2010-08-02
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Biochemical and structural characterization of bisubstrate inhibitors of BasE, the self-standing nonribosomal peptide synthetase adenylate-forming enzyme of acinetobactin synthesis.
Biochemistry, 49, 2010
1B77
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BU of 1b77 by Molmil
BUILDING A REPLISOME STRUCTURE FROM INTERACTING PIECES: A SLIDING CLAMP COMPLEXED WITH AN INTERACTION PEPTIDE FROM DNA POLYMERASE
Descriptor: PROTEIN (SLIDING CLAMP)
Authors:Shamoo, Y, Steitz, T.A.
Deposit date:1999-01-27
Release date:1999-02-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Building a replisome from interacting pieces: sliding clamp complexed to a peptide from DNA polymerase and a polymerase editing complex.
Cell(Cambridge,Mass.), 99, 1999
1PD7
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BU of 1pd7 by Molmil
Extended SID of Mad1 bound to the PAH2 domain of mSin3B
Descriptor: Mad1, Sin3b protein
Authors:Van Ingen, H, Lasonder, E, Jansen, J.F, Kaan, A.M, Spronk, C.A, Stunnenberg, H.G, Vuister, G.W.
Deposit date:2003-05-19
Release date:2004-01-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Extension of the binding motif of the sin3 interacting domain of the mad family proteins(,).
Biochemistry, 43, 2004
1AV5
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BU of 1av5 by Molmil
PKCI-SUBSTRATE ANALOG
Descriptor: PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, PROTEIN KINASE C INTERACTING PROTEIN
Authors:Lima, C.D, Klein, M.G, Hendrickson, W.A.
Deposit date:1997-09-25
Release date:1998-03-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based analysis of catalysis and substrate definition in the HIT protein family.
Science, 278, 1997
3C87
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BU of 3c87 by Molmil
Crystal structure of the enterobactin esterase FES from Shigella flexneri in the presence of enterobactin
Descriptor: Enterochelin esterase, PHOSPHATE ION, SODIUM ION
Authors:Kim, Y, Maltseva, N, Abergel, R, Raymond, K, Holzle, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-02-11
Release date:2008-02-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Siderophore Mediated Iron Acquisition: Structure and Specificity of Enterobactin Esterase from Shigella flexneri.
To be Published
3C8H
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BU of 3c8h by Molmil
Crystal structure of the enterobactin esterase FES from Shigella flexneri in the presence of 2,3-Di-hydroxy-N-benzoyl-serine
Descriptor: Enterochelin esterase
Authors:Kim, Y, Maltseva, N, Abergel, R, Holzle, D, Raymond, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-02-12
Release date:2008-02-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Siderophore Mediated Iron Acquisition: Structure and Specificity of Enterobactin Esterase from Shigella flexneri.
To be Published
1RY1
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BU of 1ry1 by Molmil
Structure of the signal recognition particle interacting with the elongation-arrested ribosome
Descriptor: SRP Alu domain, SRP RNA, SRP S domain, ...
Authors:Halic, M, Becker, T, Pool, M.R, Spahn, C.M, Grassucci, R.A, Frank, J, Beckmann, R.
Deposit date:2003-12-19
Release date:2004-04-20
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (12 Å)
Cite:Structure of the signal recognition particle interacting with the elongation-arrested ribosome
Nature, 427, 2004
8A1N
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BU of 8a1n by Molmil
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with fumaryl amide analogue 13
Descriptor: (Z)-N-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J.
Deposit date:2022-06-01
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
8A1M
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BU of 8a1m by Molmil
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with maleimide analogue 4
Descriptor: 1,2-ETHANEDIOL, 1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione, CHLORIDE ION, ...
Authors:de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J.
Deposit date:2022-06-01
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
8A1K
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BU of 8a1k by Molmil
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with ebsulfur analogue 15
Descriptor: 1,2-ETHANEDIOL, 4,5-bis(chloranyl)-N-(2-hydroxyethyl)-2-sulfanyl-benzamide, DIMETHYL SULFOXIDE, ...
Authors:de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J.
Deposit date:2022-06-01
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
8A1O
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BU of 8a1o by Molmil
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with acrylamide analogue 8
Descriptor: (E)-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-N-(5-methoxypyridin-2-yl)prop-2-enamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J.
Deposit date:2022-06-01
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023

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