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2MV7
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BU of 2mv7 by Molmil
Solution NMR structure of DOT1L in complex with AF9 (DOT1L-AF9)
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-79 specific, Protein AF-9
Authors:Kuntimaddi, A, Bushweller, J.H.
Deposit date:2014-09-24
Release date:2015-04-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Degree of Recruitment of DOT1L to MLL-AF9 Defines Level of H3K79 Di- and Tri-methylation on Target Genes and Transformation Potential.
Cell Rep, 11, 2015
2W4S
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BU of 2w4s by Molmil
novel RNA-binding domain in Cryptosporidium parvum at 2.5 angstrom resolution
Descriptor: Ankyrin-repeat protein
Authors:Varrot, A, Mackereth, C, Mourao, A, Sattler, M, Cusack, S.
Deposit date:2008-12-02
Release date:2009-12-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure and RNA Recognition by the Snrna and Snorna Transport Factor Phax.
RNA, 16, 2010
5BK9
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BU of 5bk9 by Molmil
AAD-1 Bound to the Vanadyl Ion and Succinate
Descriptor: (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, PHOSPHATE ION, SUCCINIC ACID, ...
Authors:Ongpipattanakul, C, Chekan, J.R.
Deposit date:2019-06-01
Release date:2019-06-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
5XMK
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BU of 5xmk by Molmil
Cryo-EM structure of the ATP-bound Vps4 mutant-E233Q complex with Vta1 (masked)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Vacuolar protein sorting-associated protein 4, Vacuolar protein sorting-associated protein VTA1
Authors:Sun, S, Li, L, Yang, F, Wang, X, Fan, F, Li, X, Wang, H, Sui, S.
Deposit date:2017-05-15
Release date:2017-08-09
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.18 Å)
Cite:Cryo-EM structures of the ATP-bound Vps4(E233Q) hexamer and its complex with Vta1 at near-atomic resolution
Nat Commun, 8, 2017
4FXA
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BU of 4fxa by Molmil
Crystal structure of the complex of Ribosome inactivating protein from Momordica balsamina with N-acetyl arginine at 1.7 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, N-ALPHA-L-ACETYL-ARGININE, ...
Authors:Singh, A, Pandey, S, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2012-07-03
Release date:2012-07-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the complex of Ribosome inactivating protein from Momordica balsamina with N-acetyl arginine at 1.7 Angstrom resolution
To be Published
4PSG
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BU of 4psg by Molmil
Crystal Structure of C.elegans Thymidylate Synthase in complex with an inhibitor N(4)OHdCMP
Descriptor: 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), Thymidylate synthase
Authors:Wilk, P, Jarmula, A, Rode, W.
Deposit date:2014-03-07
Release date:2015-02-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of C.elegans Thymidylate Synthase in complex with an inhibitor N(4)OHdCMP
To be Published
2DCG
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BU of 2dcg by Molmil
MOLECULAR STRUCTURE OF A LEFT-HANDED DOUBLE HELICAL DNA FRAGMENT AT ATOMIC RESOLUTION
Descriptor: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION, SPERMINE
Authors:Wang, A.H.-J, Quigley, G.J, Kolpak, F.J, Crawford, J.L, Van Boom, J.H, Van Der Marel, G.A, Rich, A.
Deposit date:1988-08-29
Release date:1989-01-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Molecular structure of a left-handed double helical DNA fragment at atomic resolution.
Nature, 282, 1979
2N9P
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BU of 2n9p by Molmil
Solution structure of RNF126 N-terminal zinc finger domain in complex with BAG6 Ubiquitin-like domain
Descriptor: E3 ubiquitin-protein ligase RNF126, Large proline-rich protein BAG6, ZINC ION
Authors:Martinez-Lumbreras, S, Krysztofinska, E.M, Thapaliya, A, Isaacson, R.L.
Deposit date:2015-12-01
Release date:2016-05-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and functional insights into the E3 ligase, RNF126.
Sci Rep, 6, 2016
4PSP
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BU of 4psp by Molmil
Crystal Structure of GH29 family alpha-L-fucosidase from Fusarium graminearum in the open form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-fucosidase GH29, ...
Authors:Cao, H, Walton, J, Brumm, P, Phillips Jr, G.N.
Deposit date:2014-03-07
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.561 Å)
Cite:Structure and Substrate Specificity of a Eukaryotic Fucosidase from Fusarium graminearum.
J.Biol.Chem., 289, 2014
2VOR
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BU of 2vor by Molmil
Crystal Structures of Mycobacterium tuberculosis Folylpolyglutamate Synthase Complexed with ADP and AMPPCP
Descriptor: COBALT (II) ION, FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC, GLYCEROL, ...
Authors:Young, P.G, Baker, E.N, Metcalf, P, Smith, C.A.
Deposit date:2008-02-19
Release date:2008-07-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of Mycobacterium Tuberculosisfolylpolyglutamate Synthase Complexed with Adp and Amppcp.
Acta Crystallogr.,Sect.D, 64, 2008
6WZA
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BU of 6wza by Molmil
Ni-bound structure of an engineered metal-dependent protein trimer, TriCyt1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, HEME C, ...
Authors:Tezcan, F.A, Kakkis, A.
Deposit date:2020-05-13
Release date:2020-09-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Metal-Templated Design of Chemically Switchable Protein Assemblies with High-Affinity Coordination Sites.
Angew.Chem.Int.Ed.Engl., 59, 2020
5EQJ
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BU of 5eqj by Molmil
Crystal structure of the two-subunit tRNA m1A58 methyltransferase from Saccharomyces cerevisiae
Descriptor: tRNA (adenine(58)-N(1))-methyltransferase catalytic subunit TRM61, tRNA (adenine(58)-N(1))-methyltransferase non-catalytic subunit TRM6
Authors:Zhu, Y, Wang, M, Wang, C, Fan, X, Jiang, X, Teng, M, Li, X.
Deposit date:2015-11-13
Release date:2016-09-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the two-subunit tRNA m(1)A58 methyltransferase TRM6-TRM61 from Saccharomyces cerevisiae.
Sci Rep, 6, 2016
2MWX
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BU of 2mwx by Molmil
The RING Domain of human Promyelocytic Leukemia Protein (PML)
Descriptor: Protein PML, ZINC ION
Authors:Huang, S.Y, Chang, C.F, Fan, P.J, Guntert, P, Shih, H.M, Huang, T.H.
Deposit date:2014-12-02
Release date:2015-02-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The RING domain of human promyelocytic leukemia protein (PML).
J.Biomol.Nmr, 61, 2015
6X0Q
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BU of 6x0q by Molmil
A Circular Permutant of the Tobacco Mosaic Virus (TMV) mutant Q101H coordinated with heme
Descriptor: Capsid protein Circular Permutant, PROTOPORPHYRIN IX CONTAINING FE
Authors:Dai, J, Knott, G.J, Francis, M.B.
Deposit date:2020-05-17
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Protein-Embedded Metalloporphyrin Arrays Templated by Circularly Permuted Tobacco Mosaic Virus Coat Proteins.
Acs Nano, 15, 2021
7OD3
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BU of 7od3 by Molmil
SARS CoV-2 Spike protein, Bristol UK Deletion variant, Closed conformation, C3 symmetry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein
Authors:Toelzer, C, Gupta, K, Yadav, S.K.N, Borucu, U, Schaffitzel, C, Berger, I.
Deposit date:2021-04-28
Release date:2022-01-26
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2.
Nat Commun, 13, 2022
4G0J
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BU of 4g0j by Molmil
Crystallographic Analysis of Rotavirus NSP2-RNA Complex Reveals Specific Recognition of 5'-GG Sequence for RTPase activity
Descriptor: Non-structural protein 2
Authors:Hu, L, Prasad, B.V.V.
Deposit date:2012-07-09
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.398 Å)
Cite:Crystallographic Analysis of Rotavirus NSP2-RNA Complex Reveals Specific Recognition of 5' GG Sequence for RTPase Activity.
J.Virol., 86, 2012
4XDO
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BU of 4xdo by Molmil
Crystal structure of human KDM4C catalytic domain with OGA
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, Lysine-specific demethylase 4C, ...
Authors:Swinger, K.K, Boriack-Sjodin, P.A.
Deposit date:2014-12-19
Release date:2015-03-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:A High-Throughput Mass Spectrometry Assay Coupled with Redox Activity Testing Reduces Artifacts and False Positives in Lysine Demethylase Screening.
J Biomol Screen, 20, 2015
7NQO
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BU of 7nqo by Molmil
Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 21
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ...
Authors:Selvam, I.R.
Deposit date:2021-03-01
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
7ODL
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BU of 7odl by Molmil
SARS CoV-2 Spike protein, Bristol UK Deletion variant, Closed conformation, C1 symmetry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein
Authors:Toelzer, C, Gupta, K, Yadav, S.K.N, Borucu, U, Schaffitzel, C, Berger, I.
Deposit date:2021-04-29
Release date:2022-01-26
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2.
Nat Commun, 13, 2022
5ENM
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BU of 5enm by Molmil
Compound 10
Descriptor: (2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Lewis, H.A.
Deposit date:2015-11-09
Release date:2016-10-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents.
Acs Med.Chem.Lett., 7, 2016
5BNR
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BU of 5bnr by Molmil
E. coli Fabh with small molecule inhibitor 2
Descriptor: 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 3
Authors:Kazmirski, S.L, McKinney, D.C.
Deposit date:2015-05-26
Release date:2016-05-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
2DCE
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BU of 2dce by Molmil
Solution structure of the SWIRM domain of human KIAA1915 protein
Descriptor: KIAA1915 protein
Authors:Yoneyama, M, Tochio, N, Umehara, T, Koshiba, S, Inoue, M, Tanaka, A, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-01-06
Release date:2006-07-06
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural and Functional Differences of SWIRM Domain Subtypes
J.Mol.Biol., 369, 2007
2N1R
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BU of 2n1r by Molmil
NMR Structure of the Myristylated Feline Immunodeficiency Virus Matrix Protein
Descriptor: Matrix protein p15
Authors:Brown, L.A, Cox, C, Button, R.J, Baptiste, J, Bahlow, K, Spurrier, V, Luttge, B.G, Kuo, L, Freed, E.O, Summers, M.F, Kyser, J, Summers, H.R.
Deposit date:2015-04-15
Release date:2015-05-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR structure of the myristylated feline immunodeficiency virus matrix protein.
Viruses, 7, 2015
5XSU
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BU of 5xsu by Molmil
novel orally efficacious inhibitors complexed with PARP1
Descriptor: 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
Authors:Liu, Q, Xu, Y.
Deposit date:2017-06-15
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
1PTO
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BU of 1pto by Molmil
THE STRUCTURE OF A PERTUSSIS TOXIN-SUGAR COMPLEX AS A MODEL FOR RECEPTOR BINDING
Descriptor: N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, PERTUSSIS TOXIN, PERTUSSIS TOXIN (SUBUNIT S1), ...
Authors:Stein, P.E, Read, R.J.
Deposit date:1994-03-22
Release date:1995-09-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of a pertussis toxin-sugar complex as a model for receptor binding.
Nat.Struct.Biol., 1, 1994

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