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1YXN
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BU of 1yxn by Molmil
Pseudo-atomic model of a fiberless isometric variant of bacteriophage phi29
Descriptor: Major head protein
Authors:Morais, M.C, Choi, K.H, Koti, J.S, Chipman, P.R, Anderson, D.L, Rossmann, M.G.
Deposit date:2005-02-22
Release date:2005-04-26
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (7.9 Å)
Cite:Conservation of the Capsid Structure in Tailed dsDNA Bacteriophages: the Pseudoatomic Structure of phi29
Mol.Cell, 18, 2005
2ZHA
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BU of 2zha by Molmil
Complex structure of AFCCA with tRNAminiDU and CTP
Descriptor: CCA-adding enzyme, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Toh, Y, Tomita, K.
Deposit date:2008-02-01
Release date:2008-08-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Molecular basis for maintenance of fidelity during the CCA-adding reaction by a CCA-adding enzyme
Embo J., 27, 2008
6F3Y
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BU of 6f3y by Molmil
Backbone structure of Des-Arg10-Kallidin (DAKD) peptide bound to human Bradykinin 1 Receptor (B1R) determined by DNP-enhanced MAS SSNMR
Descriptor: Kininogen-1
Authors:Mao, J, Kuenze, G, Joedicke, L, Meiler, J, Michel, H, Glaubitz, C.
Deposit date:2017-11-29
Release date:2018-01-10
Last modified:2024-06-19
Method:SOLID-STATE NMR
Cite:The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
2O6P
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BU of 2o6p by Molmil
Crystal Structure of the heme-IsdC complex
Descriptor: CHLORIDE ION, Iron-regulated surface determinant protein C, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Sharp, K.H, Schneider, S, Cockayne, A, Paoli, M.
Deposit date:2006-12-08
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the heme-IsdC complex, the central conduit of the Isd iron/heme uptake system in Staphylococcus aureus.
J. Biol. Chem., 282, 2007
6F3W
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BU of 6f3w by Molmil
Backbone structure of free bradykinin (BK) in DDM/CHS detergent micelle determined by MAS SSNMR
Descriptor: Kininogen-1
Authors:Mao, J, Lopez, J.J, Shukla, A.K, Kuenze, G, Meiler, J, Schwalbe, H, Michel, H, Glaubitz, C.
Deposit date:2017-11-29
Release date:2018-01-10
Last modified:2024-06-19
Method:SOLID-STATE NMR
Cite:The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
1KBJ
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BU of 1kbj by Molmil
Crystallographic Study of the Recombinant Flavin-binding Domain of Baker's Yeast Flavocytochrome b2: comparison with the Intact Wild-type Enzyme
Descriptor: 1,2-ETHANEDIOL, CYTOCHROME B2, FLAVIN MONONUCLEOTIDE
Authors:Cunane, L.M, Barton, J.D, Chen, Z.W, Welsh, F.E, Chapman, S.K, Reid, G.A, Mathews, F.S.
Deposit date:2001-11-06
Release date:2002-04-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic study of the recombinant flavin-binding domain of Baker's yeast flavocytochrome b(2): comparison with the intact wild-type enzyme.
Biochemistry, 41, 2002
8P45
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BU of 8p45 by Molmil
Crystal structure of human STING in complex with the agonist MD1202D
Descriptor: 9-[(1~{S},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon genes protein
Authors:Klima, M, Boura, E.
Deposit date:2023-05-19
Release date:2023-12-20
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function.
Structure, 32, 2024
8P44
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BU of 8p44 by Molmil
Crystal structure of monkeypox virus poxin in complex with the STING agonist MD1202D
Descriptor: 9-[(1~{S},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, MPXVgp165
Authors:Duchoslav, V, Klima, M, Boura, E.
Deposit date:2023-05-19
Release date:2023-12-20
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function.
Structure, 32, 2024
3ZN8
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BU of 3zn8 by Molmil
Structural Basis of Signal Sequence Surveillance and Selection by the SRP-SR Complex
Descriptor: 4.5 S RNA, DIPEPTIDYL AMINOPEPTIDASE B, MAGNESIUM ION, ...
Authors:von Loeffelholz, O, Knoops, K, Ariosa, A, Zhang, X, Karuppasamy, M, Huard, K, Schoehn, G, Berger, I, Shan, S.O, Schaffitzel, C.
Deposit date:2013-02-13
Release date:2013-03-06
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (12 Å)
Cite:Structural Basis of Signal Sequence Surveillance and Selection by the Srp-Sr Complex
Nat.Struct.Mol.Biol., 20, 2013
1ICM
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BU of 1icm by Molmil
ESCHERICHIA COLI-DERIVED RAT INTESTINAL FATTY ACID BINDING PROTEIN WITH BOUND MYRISTATE AT 1.5 A RESOLUTION AND I-FABPARG106-->GLN WITH BOUND OLEATE AT 1.74 A RESOLUTION
Descriptor: INTESTINAL FATTY ACID BINDING PROTEIN, MYRISTIC ACID
Authors:Eads, J.C, Sacchettini, J.C, Kromminga, A, Gordon, J.I.
Deposit date:1993-09-20
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Escherichia coli-derived rat intestinal fatty acid binding protein with bound myristate at 1.5 A resolution and I-FABPArg106-->Gln with bound oleate at 1.74 A resolution.
J.Biol.Chem., 268, 1993
7BV8
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BU of 7bv8 by Molmil
Mature 50S ribosomal subunit from RrmJ knock out E.coli strain
Descriptor: 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ...
Authors:Wang, W, Li, W.Q, Ge, X.L, Yan, K.G, Mandava, C.S, Sanyal, S, Gao, N.
Deposit date:2020-04-09
Release date:2020-07-01
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Loss of a single methylation in 23S rRNA delays 50S assembly at multiple late stages and impairs translation initiation and elongation.
Proc.Natl.Acad.Sci.USA, 117, 2020
8P0T
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BU of 8p0t by Molmil
CryoEM structure of 20S Trichomonas vaginalis proteasome in complex with proteasome inhibitor CP-17
Descriptor: Family T1, proteasome alpha subunit, threonine peptidase, ...
Authors:Silhan, J, Boura, E, Fajtova, P.
Deposit date:2023-05-10
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Tv20S proteasome in the complex with marizomib
To Be Published
4LLP
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BU of 4llp by Molmil
Crystal structure of PDE10A2 with fragment ZT401
Descriptor: 4-amino-2-methylphenol, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-09
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LM4
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BU of 4lm4 by Molmil
Crystal structure of PDE10A2 with fragment ZT902
Descriptor: NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, quinazolin-4(1H)-one
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-10
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LHI
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BU of 4lhi by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 5-(phenylsulfonyl)thiophene-2-sulfonamide
Descriptor: 5-(phenylsulfonyl)thiophene-2-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2013-07-01
Release date:2014-07-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of human carbonic anhydrase isozyme II with 5-(phenylsulfonyl)thiophene-2-sulfonamide
To be Published
6C75
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BU of 6c75 by Molmil
Structure of Iron containing alcohol dehydrogenase from Thermococcus thioreducens in a monoclinic crystal form
Descriptor: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Alcohol dehydrogenase, FE (III) ION, ...
Authors:Larson, S.B, McPherson, A.
Deposit date:2018-01-19
Release date:2019-01-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structure of an iron-containing alcohol dehydrogenase from a hyperthermophilic archaeon in two chemical states.
Acta Crystallogr F Struct Biol Commun, 75, 2019
3ZJT
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BU of 3zjt by Molmil
Ternary complex of E.coli leucyl-tRNA synthetase, tRNA(Leu)574 and the benzoxaborole AN3017 in the editing conformation
Descriptor: LEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, TRNALEU5 UAA ISOACCEPTOR
Authors:Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J.
Deposit date:2013-01-18
Release date:2013-04-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
1AL4
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BU of 1al4 by Molmil
GRAMICIDIN D FROM BACILLUS BREVIS (N-PROPANOL SOLVATE)
Descriptor: GRAMICIDIN D, N-PROPANOL
Authors:Burkhart, B.M, Gassman, R.M, Pangborn, W.A, Duax, W.L.
Deposit date:1997-06-11
Release date:1998-03-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Heterodimer Formation and Crystal Nucleation of Gramicidin D
Biophys.J., 75, 1998
6C7L
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BU of 6c7l by Molmil
Structure of Iron containing alcohol dehydrogenase from Thermococcus thioreducens in a tetragonal crystal form
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, ...
Authors:Jones, J.A, Larson, S.B, McPherson, A.
Deposit date:2018-01-22
Release date:2019-02-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:The structure of an iron-containing alcohol dehydrogenase from a hyperthermophilic archaeon in two chemical states.
Acta Crystallogr F Struct Biol Commun, 75, 2019
4RHD
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BU of 4rhd by Molmil
DNA Duplex with Novel ZP Base Pair
Descriptor: DNA 9mer novel P nucleobase, DNA 9mer novel Z nucleobase, MAGNESIUM ION
Authors:Zhang, W, Zhang, L, Benner, S, Huang, Z.
Deposit date:2014-10-01
Release date:2015-07-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evolution of functional six-nucleotide DNA.
J.Am.Chem.Soc., 137, 2015
3ZJU
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BU of 3zju by Molmil
Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3016 in the editing conformation
Descriptor: LEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, TRNALEU5 UAA ISOACCEPTOR
Authors:Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J.
Deposit date:2013-01-18
Release date:2013-04-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
1ACL
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BU of 1acl by Molmil
QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE
Descriptor: ACETYLCHOLINESTERASE, DECAMETHONIUM ION
Authors:Sussman, J.L, Harel, M, Silman, I.
Deposit date:1993-08-18
Release date:1994-08-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase.
Proc.Natl.Acad.Sci.USA, 90, 1993
1ACJ
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BU of 1acj by Molmil
QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE
Descriptor: ACETYLCHOLINESTERASE, TACRINE
Authors:Sussman, J.L, Harel, M, Silman, I.
Deposit date:1993-08-18
Release date:1994-08-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase.
Proc.Natl.Acad.Sci.USA, 90, 1993
4JXV
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BU of 4jxv by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-{[2-(4-CARBOXYPHENYL)ETHYL]SULFAMOYL}THIOPHENE-2-CARBOXYLIC ACID (compound 5)
Descriptor: 3-{[2-(4-carboxyphenyl)ethyl]sulfamoyl}thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Powers, R.A, Hendershot, J.M.
Deposit date:2013-03-28
Release date:2014-04-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure-based efforts to optimize a non-beta-lactam inhibitor of AmpC beta-lactamase.
Bioorg.Med.Chem., 22, 2014
6C76
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BU of 6c76 by Molmil
Structure of Iron containing alcohol dehydrogenase from Thermococcus thioreducens in an orthorhombic crystal form
Descriptor: ACETIC ACID, Alcohol dehydrogenase, FE (III) ION, ...
Authors:Larson, S.B, McPherson, A.
Deposit date:2018-01-20
Release date:2019-01-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of an iron-containing alcohol dehydrogenase from a hyperthermophilic archaeon in two chemical states.
Acta Crystallogr F Struct Biol Commun, 75, 2019

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