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1Q2N
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BU of 1q2n by Molmil
REFINED Solution NMR structure of the Z domain of STAPHYLOCOCCAL PROTEIN A
分子名称: IMMUNOGLOBULIN G BINDING PROTEIN A
著者Zheng, D, Tashiro, M, Aramini, J.M, Montelione, G.T.
登録日2003-07-25
公開日2003-08-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Validation of helical tilt angles in the solution NMR structure of the Z domain of Staphylococcal protein A by combined analysis of residual dipolar coupling and NOE data.
Protein Sci., 13, 2004
1Q2Z
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BU of 1q2z by Molmil
The 3D solution structure of the C-terminal region of Ku86
分子名称: ATP-dependent DNA helicase II, 80 kDa subunit
著者Harris, R, Esposito, D, Sankar, A, Maman, J.D, Hinks, J.A, Pearl, L.H, Driscoll, P.C.
登録日2003-07-28
公開日2004-01-13
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The 3D Solution Structure of the C-terminal Region of Ku86 (Ku86CTR)
J.Mol.Biol., 335, 2004
2FUN
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BU of 2fun by Molmil
alternative p35-caspase-8 complex
分子名称: Early 35 kDa protein, caspase-8
著者Lu, M, Min, T, Eliezer, D, Wu, H.
登録日2006-01-27
公開日2006-06-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Native chemical ligation in covalent caspase inhibition by p35.
Chem.Biol., 13, 2006
6T2W
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BU of 6t2w by Molmil
Crystal structure of the CSF1R kinase domain with a dihydropurinone inhibitor (compound 4)
分子名称: 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Macrophage colony-stimulating factor 1 receptor, SULFATE ION
著者Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E.
登録日2019-10-09
公開日2020-01-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.
J.Med.Chem., 63, 2020
1Q3U
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BU of 1q3u by Molmil
Crystal structure of a wild-type Cre recombinase-loxP synapse: pre-cleavage complex
分子名称: Cre recombinase, IODIDE ION, MAGNESIUM ION, ...
著者Ennifar, E, Meyer, J.E.W, Buchholz, F, Stewart, A.F, Suck, D.
登録日2003-08-01
公開日2003-09-16
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of a wild-type Cre recombinase-loxP synapse reveals a novel spacer conformation suggesting an alternative mechanism for DNA cleavage activation
Nucleic Acids Res., 31, 2003
2FV8
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BU of 2fv8 by Molmil
The crystal structure of RhoB in the GDP-bound state
分子名称: GUANOSINE-5'-DIPHOSPHATE, Rho-related GTP-binding protein RhoB
著者Turnbull, A.P, Soundararajan, M, Smee, C, Johansson, C, Schoch, G, Gorrec, F, Bray, J, Papagrigoriou, E, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
登録日2006-01-30
公開日2006-02-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of RhoB in the GDP-bound state
To be Published
1Q4S
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BU of 1q4s by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase complexed with CoA and 4-hydroxybenzoic acid
分子名称: COENZYME A, P-HYDROXYBENZOIC ACID, Thioesterase
著者Thoden, J.B, Zhuang, Z, Dunaway-Mariano, D, Holden, H.M.
登録日2003-08-04
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Structure of 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. strain SU
J.Biol.Chem., 278, 2003
5LQ8
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BU of 5lq8 by Molmil
1.52 A resolution structure of PhnD1 from Prochlorococcus marinus (MIT 9301) in complex with methylphosphonate
分子名称: METHYLPHOSPHONIC ACID ESTER GROUP, Putative phosphonate binding protein for ABC transporter
著者Bisson, C, Adams, N.B.P, Polyviou, D, Bibby, T.S, Hunter, C.N, Hitchcock, A.
登録日2016-08-16
公開日2017-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献The molecular basis of phosphite and hypophosphite recognition by ABC-transporters.
Nat Commun, 8, 2017
6SPD
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BU of 6spd by Molmil
Pseudomonas aeruginosa 50s ribosome from a clinical isolate
分子名称: 23S ribosomal RNA, 50S ribosomal protein L11, 50S ribosomal protein L13, ...
著者Halfon, Y, Jimenez-Fernande, A, La Ros, R, Espinos, R, Krogh Johansen, H, Matzov, D, Eyal, Z, Bashan, A, Zimmerman, E, Belousoff, M, Molin, S, Yonath, A.
登録日2019-09-01
公開日2019-10-16
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Structure ofPseudomonas aeruginosaribosomes from an aminoglycoside-resistant clinical isolate.
Proc.Natl.Acad.Sci.USA, 116, 2019
1PQI
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BU of 1pqi by Molmil
T4 LYSOZYME CORE REPACKING MUTANT I118L/CORE7/TA
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ...
著者Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
登録日2003-06-18
公開日2003-10-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
1PQM
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T4 Lysozyme Core Repacking Mutant V149I/T152V/TA
分子名称: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Lysozyme, ...
著者Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
登録日2003-06-18
公開日2003-10-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
6SS5
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BU of 6ss5 by Molmil
Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0020187
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
登録日2019-09-06
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Extensive sequence and structural evolution of Arginase 2 inhibitory antibodies enabled by an unbiased approach to affinity maturation.
Proc.Natl.Acad.Sci.USA, 117, 2020
6SUW
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BU of 6suw by Molmil
Crystal structure of Rhodospirillum rubrum Rru_A0973 E31A variant
分子名称: CALCIUM ION, FE (III) ION, Uncharacterized protein
著者Marles-Wright, J, He, D.
登録日2019-09-17
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Dissecting the structural and functional roles of a putative metal entry site in encapsulated ferritins.
J.Biol.Chem., 295, 2020
5LT8
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BU of 5lt8 by Molmil
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
分子名称: Histone-lysine N-methyltransferase SETD2, SINEFUNGIN, ZINC ION
著者Tisi, D, Pathuri, P, Heightman, T.
登録日2016-09-06
公開日2016-10-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
6SSH
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BU of 6ssh by Molmil
Structure of the TSC2 GAP domain
分子名称: 1,2-ETHANEDIOL, GTPase activator-like protein
著者Hansmann, P, Kiontke, S, Kummel, D.
登録日2019-09-06
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of the TSC2 GAP Domain: Mechanistic Insight into Catalysis and Pathogenic Mutations.
Structure, 28, 2020
1PXO
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BU of 1pxo by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine
分子名称: Cell division protein kinase 2, [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
著者Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M.
登録日2003-07-04
公開日2004-04-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
5LVP
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BU of 5lvp by Molmil
Human PDK1 Kinase Domain in Complex with an HM-Peptide Bound to the PIF-Pocket
分子名称: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
著者Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M.
登録日2016-09-14
公開日2016-10-19
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
1OF4
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BU of 1of4 by Molmil
Structural and thermodynamic dissection of specific mannan recognition by a carbohydrate-binding module, TmCBM27
分子名称: BETA-MANNOSIDASE, CALCIUM ION, GLYCEROL, ...
著者Boraston, A.B, Revett, T.J, Boraston, C.M, Nurizzo, D, Davies, G.J.
登録日2003-04-07
公開日2003-04-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Thermodynamic Dissection of Specific Mannan Recognition by a Carbohydrate Binding Module, Tmcbm27
Structure, 11, 2003
3UD0
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BU of 3ud0 by Molmil
ATP synthase C10 ring in proton-unlocked conformation at PH 5.5
分子名称: ATP synthase subunit C, mitochondrial
著者Symersky, J, Mueller, D.
登録日2011-10-27
公開日2012-02-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the c(10) ring of the yeast mitochondrial ATP synthase in the open conformation.
Nat.Struct.Mol.Biol., 19, 2012
6SZT
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BU of 6szt by Molmil
Crystal structure of YTHDC1 with fragment 10 (DHU_DC1_076)
分子名称: 6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
2FNN
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BU of 2fnn by Molmil
Activation of human carbonic anhydrase II by exogenous proton donors
分子名称: 4-METHYLIMIDAZOLE, Carbonic Anhydrase 2, ZINC ION
著者Bhatt, D, Fisher, S.Z, Tu, C, McKenna, R, Silverman, D.N.
登録日2006-01-11
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Location of binding sites in small molecule rescue of human carbonic anhydrase II.
Biophys.J., 92, 2007
6T02
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BU of 6t02 by Molmil
Crystal structure of YTHDC1 with fragment 15 (DHU_DC1_169)
分子名称: (~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
2FTU
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BU of 2ftu by Molmil
solution structure of domain 3 of RAP
分子名称: Alpha-2-macroglobulin receptor-associated protein, domain 3
著者Lee, D, Walsh, J.D, Wang, Y.-X.
登録日2006-01-24
公開日2006-05-09
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献RAP uses a histidine switch to regulate its interaction with LRP in the ER and Golgi.
Mol.Cell, 22, 2006
5LSO
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BU of 5lso by Molmil
Crystal structure of SPF45 UHM domain with cyclic peptide inhibitor
分子名称: LYS-SER-ARG-TRP-ASP-GLU, Splicing factor 45
著者Jagtap, P.K.A, Garg, D, Sattler, M.
登録日2016-09-05
公開日2016-10-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Rational Design of Cyclic Peptide Inhibitors of U2AF Homology Motif (UHM) Domains To Modulate Pre-mRNA Splicing.
J. Med. Chem., 59, 2016
5LSS
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Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
分子名称: Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ...
著者Tisi, D, Pathuri, P.
登録日2016-09-05
公開日2016-10-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016

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