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5ELX
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BU of 5elx by Molmil
S. cerevisiae Dbp5 bound to RNA and mant-ADP BeF3
分子名称: ATP-dependent RNA helicase DBP5, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
著者Merchant, M.K, Modis, Y.
登録日2015-11-05
公開日2016-02-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Pi Release Limits the Intrinsic and RNA-Stimulated ATPase Cycles of DEAD-Box Protein 5 (Dbp5).
J.Mol.Biol., 428, 2016
1K8F
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BU of 1k8f by Molmil
CRYSTAL STRUCTURE OF THE HUMAN C-TERMINAL CAP1-ADENYLYL CYCLASE ASSOCIATED PROTEIN
分子名称: ADENYLYL CYCLASE-ASSOCIATED PROTEIN
著者Patskovsky, Y.V, Chance, M, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2001-10-24
公開日2003-07-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the actin binding domain of the cyclase-associated protein.
Biochemistry, 43, 2004
6K3B
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BU of 6k3b by Molmil
Crystal structure of Lpg2147-Lpg2149 complex
分子名称: Lpg2147, Uncharacterized protein
著者Mu, Y, Wang, Y, Han, Y, Li, D, Feng, Y.
登録日2019-05-17
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.974 Å)
主引用文献Structural insights into the mechanism and inhibition of transglutaminase-induced ubiquitination by the Legionella effector MavC.
Nat Commun, 11, 2020
6H5O
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BU of 6h5o by Molmil
Crystal structure of PBP2a from MRSA in complex with piperacillin at active site.
分子名称: CADMIUM ION, Penicillin binding protein 2 prime, Piperacillin (Open Form)
著者Batuecas, M.T, Martinez-Caballero, S, Hermoso, J.A.
登録日2018-07-25
公開日2019-08-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus.
Antimicrob.Agents Chemother., 63, 2019
8OK7
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BU of 8ok7 by Molmil
Variant Surface Glycoprotein VSG558 NTD
分子名称: Variant surface glycoprotein 558, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zeelen, J.P, Stebbins, C.E, van Straaten, M, Zhong, J.
登録日2023-03-27
公開日2023-09-13
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
8Q0E
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BU of 8q0e by Molmil
Crystal Structure of the N-terminal Domain of Variant Surface Glycoprotein 545 (VSG545) of Trypanosome brucei brucei Lister 427
分子名称: Variant surface glycoprotein 545
著者van Straaten, M, Stebbins, C.E.
登録日2023-07-28
公開日2023-09-13
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
6KFP
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BU of 6kfp by Molmil
Crystal structure of MavC ternary complex
分子名称: MavC, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 N
著者Mu, Y, Wang, Y, Han, Y, Li, D, Feng, Y.
登録日2019-07-08
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Structural insights into the mechanism and inhibition of transglutaminase-induced ubiquitination by the Legionella effector MavC.
Nat Commun, 11, 2020
8OK4
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BU of 8ok4 by Molmil
Variant Surface Glycoprotein VSG11wt-Oil
分子名称: Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Zeelen, J.P, Stebbins, C.E, Aresta-Branco, F, Foti, K.
登録日2023-03-27
公開日2023-09-13
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
8ONH
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BU of 8onh by Molmil
Variant Surface Glycoprotein VSG11wt-Oil
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Variant surface glycoprotein, alpha-D-glucopyranose, ...
著者Zeelen, J.P, Stebbins, C.E, Foti, K, Gkeka, A, Vlachou, E.P.
登録日2023-04-03
公開日2023-09-13
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
8OK5
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Variant Surface Glycoprotein VSG11 monomer with iodine
分子名称: IODIDE ION, Variant surface glycoprotein, alpha-D-glucopyranose, ...
著者Zeelen, J.P, Stebbins, C.E, Aresta-Branco, F.
登録日2023-03-27
公開日2023-09-13
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
8OK6
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BU of 8ok6 by Molmil
Variant Surface Glycoprotein VSG11 two monomers
分子名称: SULFATE ION, Variant surface glycoprotein, alpha-D-glucopyranose, ...
著者Gkeka, A, Vlachou, E.P, Zeelen, J.P, Stebbins, C.E.
登録日2023-03-27
公開日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
8GI3
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BU of 8gi3 by Molmil
Crystal structure of RhoA mutant L69P complexed with GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA
著者Chen, X, Qian, X, Chandravanshi, M, Lowy, D.R, Walters, K.J.
登録日2023-03-13
公開日2024-03-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Ras-like GTPases mutants structure
To be published
8Q0P
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BU of 8q0p by Molmil
Crystal Structure of an N-terminal Domain of Variant Surface Glycoprotein 21 (VSG21) of Trypanosome brucei brucei Lister 427
分子名称: Variant surface glycoprotein MITat 1.21
著者Zeelen, J.P, Stebbins, C.E.
登録日2023-07-28
公開日2023-09-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
5KO9
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BU of 5ko9 by Molmil
Crystal Structure of the SRAP Domain of Human HMCES Protein
分子名称: Embryonic stem cell-specific 5-hydroxymethylcytosine-binding protein, UNKNOWN ATOM OR ION
著者Halabelian, L, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2016-06-29
公開日2016-08-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
5M18
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BU of 5m18 by Molmil
Crystal structure of PBP2a from MRSA in the presence of Cefepime ligand
分子名称: CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid
著者Molina, R, Batuecas, M.T, Hermoso, J.A.
登録日2016-10-07
公開日2017-02-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
5M19
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Crystal structure of PBP2a from MRSA in the presence of Oxacillin ligand
分子名称: CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid
著者Molina, R, Batuecas, M.T, Hermoso, J.A.
登録日2016-10-07
公開日2017-02-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
4CJN
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BU of 4cjn by Molmil
Crystal structure of PBP2a from MRSA in complex with quinazolinone ligand
分子名称: (E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid, CADMIUM ION, CHLORIDE ION, ...
著者Bouley, R, Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
登録日2013-12-21
公開日2015-02-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.947 Å)
主引用文献Discovery of Antibiotic (E)-3-(3-Carboxyphenyl)-2-(4-Cyanostyryl)Quinazolin-4(3H)-One.
J.Am.Chem.Soc., 137, 2015
5M1A
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BU of 5m1a by Molmil
Crystal structure of PBP2a from MRSA in the presence of Ceftazidime ligand
分子名称: CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid
著者Molina, R, Batuecas, M.T, Hermoso, J.A.
登録日2016-10-07
公開日2017-02-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
3P8H
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BU of 3p8h by Molmil
Crystal structure of L3MBTL1 (MBT repeat) in complex with a nicotinamide antagonist
分子名称: 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine, GLYCEROL, Lethal(3)malignant brain tumor-like protein, ...
著者Lam, R, Herold, J.M, Ouyang, H, Tempel, W, Gao, C, Ravichandran, M, Senisterra, G, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Kireev, D, Frye, S.V, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2010-10-13
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Small-molecule ligands of methyl-lysine binding proteins.
J.Med.Chem., 54, 2011
6FI8
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BU of 6fi8 by Molmil
Crystal structure of the IS608 transposase in complex with left end 29-mer DNA hairpin and a 6-mer DNA representing the intact target site: pre-cleavage target capture complex
分子名称: CALCIUM ION, DNA 29-MER (LE29), DNA 6-MER (T6'), ...
著者Morero, N.R, Barabas, O.
登録日2018-01-17
公開日2018-03-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Targeting IS608 transposon integration to highly specific sequences by structure-based transposon engineering.
Nucleic Acids Res., 46, 2018
3ENS
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BU of 3ens by Molmil
Crystal structure of human FXA in complex with methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Activated factor Xa heavy chain, ...
著者Klei, H.E.
登録日2008-09-25
公開日2008-12-30
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, Structure-Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors.
J.Med.Chem., 51, 2008
6TYM
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KEAP1 Kelch domain in complex with Compound 9
分子名称: (3S)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Marcotte, D.J.
登録日2019-08-09
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.422 Å)
主引用文献Design, synthesis and identification of novel, orally bioavailable non-covalent Nrf2 activators.
Bioorg.Med.Chem.Lett., 30, 2020
6TYP
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KEAP1 Kelch domain in complex with Compound 2
分子名称: (3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid, FORMIC ACID, Kelch-like ECH-associated protein 1
著者Marcotte, D.J.
登録日2019-08-09
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design, synthesis and identification of novel, orally bioavailable non-covalent Nrf2 activators.
Bioorg.Med.Chem.Lett., 30, 2020
3CZD
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BU of 3czd by Molmil
Crystal structure of human glutaminase in complex with L-glutamate
分子名称: GLUTAMIC ACID, GLYCEROL, Glutaminase kidney isoform, ...
著者Karlberg, T, Welin, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wikstrom, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2008-04-29
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
3DZO
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Crystal structure of a rhoptry kinase from toxoplasma gondii
分子名称: MAGNESIUM ION, Rhoptry kinase domain
著者Wernimont, A.K, Lam, A, Ali, A, Lin, Y.H, Ni, S, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Wilkstrom, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Sibley, D, Hui, R, Qiu, W, Structural Genomics Consortium (SGC)
登録日2008-07-30
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel structural and regulatory features of rhoptry secretory kinases in Toxoplasma gondii.
Embo J., 28, 2009

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