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5FBT
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BU of 5fbt by Molmil
Crystal structure of rifampin phosphotransferase RPH-Lm from Listeria monocytogenes in complex with rifampin
分子名称: CHLORIDE ION, Phosphoenolpyruvate synthase, Rifampin
著者Stogios, P.J, Wawrzak, Z, Skarina, T, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-12-14
公開日2015-12-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Rifampin phosphotransferase is an unusual antibiotic resistance kinase.
Nat Commun, 7, 2016
6Y4V
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BU of 6y4v by Molmil
Crystal structure of p38 in complex with SR68
分子名称: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
著者Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-02-23
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
8P4K
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BU of 8p4k by Molmil
Vaccinia Virus palisade layer A10 trimer
分子名称: Core protein OPG136
著者Datler, J, Hansen, J.M, Thader, A, Schloegl, A, Hodirnau, V.V, Schur, F.K.M.
登録日2023-05-22
公開日2024-01-17
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Multi-modal cryo-EM reveals trimers of protein A10 to form the palisade layer in poxvirus cores.
Nat.Struct.Mol.Biol., 2024
7APL
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BU of 7apl by Molmil
tRNA-guanine transglycosylase G87C mutant spin-labeled with MTSL
分子名称: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION
著者Nguyen, D, Heine, A, Klebe, G.
登録日2020-10-18
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Unraveling a Ligand-Induced Twist of a Homodimeric Enzyme by Pulsed Electron-Electron Double Resonance.
Angew.Chem.Int.Ed.Engl., 60, 2021
6GOM
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BU of 6gom by Molmil
KRAS-169 Q61H GPPNHP + PPIN-1
分子名称: (6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one, CITRIC ACID, GTPase KRas, ...
著者Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
登録日2018-06-01
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3MNB
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BU of 3mnb by Molmil
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. First stage of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
登録日2010-04-21
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.198 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
5A5B
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BU of 5a5b by Molmil
Structure of the 26S proteasome-Ubp6 complex
分子名称: 26S PROTEASE REGULATORY SUBUNIT 4 HOMOLOG, 26S PROTEASE REGULATORY SUBUNIT 6A, 26S PROTEASE REGULATORY SUBUNIT 6B HOMOLOG, ...
著者Aufderheide, A, Beck, F, Stengel, F, Hartwig, M, Schweitzer, A, Pfeifer, G, Goldberg, A.L, Sakata, E, Baumeister, W, Foerster, F.
登録日2015-06-17
公開日2015-07-22
最終更新日2017-08-30
実験手法ELECTRON MICROSCOPY (9.5 Å)
主引用文献Structural Characterization of the Interaction of Ubp6 with the 26S Proteasome.
Proc.Natl.Acad.Sci.USA, 112, 2015
1KBY
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BU of 1kby by Molmil
Structure of Photosynthetic Reaction Center with bacteriochlorophyll-bacteriopheophytin heterodimer
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
著者Camara-Artigas, A, Magee, C, Goetsch, A, Allen, J.P.
登録日2001-11-07
公開日2002-11-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The structure of the heterodimer reaction center from Rhodobacter sphaeroides at 2.55 a resolution.
Photosynth.Res., 74, 2002
2K2P
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BU of 2k2p by Molmil
Solution NMR structure of protein Atu1203 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium (NESG) target AtT10, Ontario Center for Structural Proteomics target ATC1183
分子名称: Uncharacterized protein Atu1203
著者Lemak, A, Gutmanas, A, Yee, A, Semesi, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
登録日2008-04-08
公開日2008-04-22
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of protein Atu1203 from Agrobacterium tumefaciens.
To be Published
4HKM
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BU of 4hkm by Molmil
Crystal Structure of an Anthranilate Phosphoribosyltransferase (target ID NYSGRC-016600) from Xanthomonas campestris
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Anthranilate phosphoribosyltransferase, GLYCEROL, ...
著者Ghosh, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-10-15
公開日2012-10-31
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.953 Å)
主引用文献Crystal Structure of an Anthranilate Phosphoribosyltransferase (target ID NYSGRC-016600) from Xanthomonas campestris
To be Published
5FU4
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BU of 5fu4 by Molmil
The complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition
分子名称: CBM74-RFGH5, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose
著者Basle, A, Luis, A.S, Venditto, I, Gilbert, H.J.
登録日2016-01-20
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
3MO3
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BU of 3mo3 by Molmil
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Fifth stage of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
登録日2010-04-22
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.805 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
7AKG
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BU of 7akg by Molmil
Crystal structure of STK17B with bound dovitinib
分子名称: 1,2-ETHANEDIOL, 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, Serine/threonine-protein kinase 17B
著者Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-09-30
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
3MO9
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BU of 3mo9 by Molmil
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Seventh stage of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
登録日2010-04-22
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
6YKZ
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BU of 6ykz by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_234
分子名称: SULFATE ION, YTHDC1, ~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-06
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
1K4N
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BU of 1k4n by Molmil
Structural Genomics, Protein EC4020
分子名称: Protein EC4020
著者Zhang, R.G, Joachimiak, A, Edwards, A, Savchenko, A, Skarina, T, Midwest Center for Structural Genomics (MCSG)
登録日2001-10-08
公開日2002-08-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Conserved protein YecM from Escherichia coli shows structural homology to metal-binding isomerases and oxygenases.
Proteins, 51, 2003
5LXC
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BU of 5lxc by Molmil
Crystal structure of DYRK2 in complex with EHT 5372 (Compound 1)
分子名称: 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2,4-dichlorophenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
著者Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-09-20
公開日2016-10-26
最終更新日2017-01-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases.
J. Med. Chem., 59, 2016
6GYH
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BU of 6gyh by Molmil
Crystal structure of the light-driven proton pump Coccomyxa subellipsoidea Rhodopsin CsR
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Family A G protein-coupled receptor-like protein, ...
著者Szczepek, M, Schmidt, A, Scheerer, P.
登録日2018-06-29
公開日2019-03-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of a light-gated proton channel based on the crystal structure ofCoccomyxarhodopsin.
Sci.Signal., 12, 2019
5A3B
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BU of 5a3b by Molmil
Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes in complex with ADP-ribose
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, ALANINE, ...
著者Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I.
登録日2015-05-28
公開日2015-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens.
Mol.Cell, 59, 2015
6YKE
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BU of 6yke by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_038
分子名称: (2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-06
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YL9
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BU of 6yl9 by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_085
分子名称: 3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-06
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
5AGT
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BU of 5agt by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-4-chloro-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
分子名称: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, GLYCEROL, LEUCINE--TRNA LIGASE, ...
著者Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
登録日2015-02-03
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5AKB
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BU of 5akb by Molmil
MutS in complex with the N-terminal domain of MutL - crystal form 1
分子名称: DNA MISMATCH REPAIR PROTEIN MUTL, DNA MISMATCH REPAIR PROTEIN MUTS, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Groothuizen, F.S, Winkler, I, Cristovao, M, Fish, A, Winterwerp, H.H.K, Reumer, A, Marx, A.D, Hermans, N, Nicholls, R.A, Murshudov, G.N, Lebbink, J.H.G, Friedhoff, P, Sixma, T.K.
登録日2015-03-03
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (4.71 Å)
主引用文献MutS/MutL crystal structure reveals that the MutS sliding clamp loads MutL onto DNA.
Elife, 4, 2015
6GTB
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BU of 6gtb by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with FB211
分子名称: 1,2-ETHANEDIOL, 17-beta-hydroxysteroid dehydrogenase 14, 3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid, ...
著者Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
登録日2018-06-18
公開日2019-09-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.619 Å)
主引用文献X-ray Crystallographic Fragment screening and Hit Optimization
To Be Published
6V25
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BU of 6v25 by Molmil
Complex of mutant (K162M) of E. coli L-asparaginase II with L-Asp
分子名称: ASPARTIC ACID, L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-11-22
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020

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