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7PM4
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BU of 7pm4 by Molmil
Cryo-EM structures of human fucosidase FucA1 reveal insight into substate recognition and catalysis.
分子名称: (2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4,5-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Tissue alpha-L-fucosidase
著者Armstrong, Z, Meek, R.W, Wu, L, Blaza, J.N, Davies, G.J.
登録日2021-09-01
公開日2022-08-10
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献Cryo-EM structures of human fucosidase FucA1 reveal insight into substrate recognition and catalysis.
Structure, 30, 2022
1JF8
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X-ray structure of reduced C10S, C15A arsenate reductase from pI258
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICARBONATE ION, POTASSIUM ION, ...
著者Zegers, I, Martins, J.C, Willem, R, Wyns, L, Messens, J.
登録日2001-06-20
公開日2001-10-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Arsenate reductase from S. aureus plasmid pI258 is a phosphatase drafted for redox duty.
Nat.Struct.Biol., 8, 2001
7PTV
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BU of 7ptv by Molmil
Structure of the Mimivirus genomic fibre asymmetric unit
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative glucose-methanol-choline oxidoreductase protein
著者Villalta, A, Schmitt, A, Estrozi, L.F, Quemin, E.R.J, Alempic, J.M, Lartigue, A, Prazak, V, Belmudes, L, Vasishtan, D, Colmant, A.M.G, Honore, F.A, Coute, Y, Grunewald, K, Abergel, C.
登録日2021-09-27
公開日2022-08-10
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The giant mimivirus 1.2 Mb genome is elegantly organized into a 30 nm diameter helical protein shield.
Elife, 11, 2022
6F05
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BU of 6f05 by Molmil
ARABIDOPSIS THALIANA GSTF9, GSO3 BOUND
分子名称: CHLORIDE ION, GLUTATHIONE SULFONIC ACID, GLYCEROL, ...
著者Tossounian, M.A, Wahni, K, VanMolle, I, Vertommen, D, Rosado, L, Messens, J.
登録日2017-11-17
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Redox-regulated methionine oxidation of Arabidopsis thaliana glutathione transferase Phi9 induces H-site flexibility.
Protein Sci., 28, 2019
7PQT
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BU of 7pqt by Molmil
Apo human Kv3.1 cryo-EM structure
分子名称: POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1
著者Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W.
登録日2021-09-20
公開日2022-08-17
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators.
Pnas Nexus, 1, 2022
7PQU
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BU of 7pqu by Molmil
Ligand-bound human Kv3.1 cryo-EM structure (Lu AG00563)
分子名称: 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-2-ylmethyl)pyrrole-3-carboxamide, POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1
著者Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W.
登録日2021-09-20
公開日2022-08-17
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators.
Pnas Nexus, 1, 2022
1JBN
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BU of 1jbn by Molmil
Solution structure of an acyclic permutant of SFTI-1, A trypsin inhibitor from sunflower seeds
分子名称: CYCLIC TRYPSIN INHIBITOR
著者Korsinczky, M.L.J, Schirra, H.J, Rosengren, K.J, West, J, Condie, B.A, Otvos, L, Anderson, M.A, Craik, D.J.
登録日2001-06-06
公開日2001-08-22
最終更新日2016-12-28
実験手法SOLUTION NMR
主引用文献Solution structures by 1H NMR of the novel cyclic trypsin inhibitor SFTI-1 from sunflower seeds and an acyclic permutant.
J.Mol.Biol., 311, 2001
5TRC
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BU of 5trc by Molmil
Crystal structure of phosphorylated AC3-AC5 domains of yeast acetyl-CoA carboxylase
分子名称: Acetyl-CoA carboxylase, CHLORIDE ION
著者Wei, J, Tong, L.
登録日2016-10-26
公開日2016-12-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A unified molecular mechanism for the regulation of acetyl-CoA carboxylase by phosphorylation.
Cell Discov, 2, 2016
5TXG
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BU of 5txg by Molmil
Crystal structure of the Zika virus NS3 helicase.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, NS3 helicase, POTASSIUM ION
著者Nocadello, S, Light, S.H, Minasov, G, Shuvalova, L, Cardona-Correa, A.A, Ojeda, I, Vargas, J, Johnson, M.E, Lee, H, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-11-16
公開日2016-12-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of the Zika virus NS3 helicase.
To be published
1OQN
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BU of 1oqn by Molmil
Crystal structure of the phosphotyrosine binding domain (PTB) of mouse Disabled 1 (Dab1)
分子名称: Alzheimer's disease amyloid A4 protein homolog, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Disabled homolog 1
著者Yun, M, Keshvara, L, Park, C.-G, Zhang, Y.-M, Dickerson, J.B, Zheng, J, Rock, C.O, Curran, T, Park, H.-W.
登録日2003-03-10
公開日2003-08-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of the Dab homology domains of mouse disabled 1 and 2
J.Biol.Chem., 278, 2003
1ORV
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BU of 1orv by Molmil
Crystal Structure of Porcine Dipeptidyl Peptidase IV (CD26)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ...
著者Engel, M, Hoffmann, T, Wagner, L, Wermann, M, Heiser, U, Kiefersauer, R, Huber, R, Bode, W, Demuth, H.U, Brandstetter, H.
登録日2003-03-16
公開日2003-05-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Crystal Structure of Dipeptidyl Peptidase IV (CD26) Reveals its Functional Regulation and Enzymatic Mechanism
Proc.Natl.Acad.Sci.USA, 100, 2003
1P6V
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BU of 1p6v by Molmil
Crystal structure of the tRNA domain of transfer-messenger RNA in complex with SmpB
分子名称: 45-MER, SsrA-binding protein
著者Gutmann, S, Haebel, P.W, Metzinger, L, Sutter, M, Felden, B, Ban, N.
登録日2003-04-30
公開日2003-08-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of the transfer-RNA domain of transfer-messenger RNA in complex with SmpB
Nature, 424, 2003
7PQH
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BU of 7pqh by Molmil
Cryo-EM structure of Saccharomyces cerevisiae TOROID (TORC1 Organized in Inhibited Domains).
分子名称: Serine/threonine-protein kinase TOR2, Target of rapamycin complex 1 subunit KOG1,Target of rapamycin complex 1 subunit Kog1, Target of rapamycin complex subunit LST8
著者Felix, J, Prouteau, M, Bourgoint, C, Bonadei, L, Desfosses, A, Gabus, C, Sadian, Y, Savvides, S.N, Gutsche, I, Loewith, R.
登録日2021-09-17
公開日2023-01-18
最終更新日2023-03-29
実験手法ELECTRON MICROSCOPY (3.87 Å)
主引用文献EGOC inhibits TOROID polymerization by structurally activating TORC1.
Nat.Struct.Mol.Biol., 30, 2023
1JNH
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BU of 1jnh by Molmil
Crystal Structure of Fab-Estradiol Complexes
分子名称: ESTRADIOL-6 CARBOXYL-METHYL-OXIME, monoclonal anti-estradiol 10G6D6 Fab heavy chain, monoclonal anti-estradiol 10G6D6 Fab light chain
著者Monnet, C, Bettsworth, F, Stura, E.A, Le Du, M.-H, Menez, R, Derrien, L, Zinn-Justin, S, Gilquin, B, Sibai, G, Battail-Poirot, N, Jolivet, M, Menez, A, Arnaud, M, Ducancel, F, Charbonnier, J.B.
登録日2001-07-24
公開日2002-02-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Highly specific anti-estradiol antibodies: structural characterisation and binding diversity.
J.Mol.Biol., 315, 2002
1OZL
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BU of 1ozl by Molmil
Crystal Structures of the Ferric, Ferrous, and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications
分子名称: Heme oxygenase 1, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE
著者Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L.
登録日2003-04-09
公開日2003-08-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications
J.Mol.Biol., 330, 2003
1OZW
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BU of 1ozw by Molmil
Crystal Structures of the Ferric, Ferrous and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications
分子名称: Heme oxygenase 1, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE
著者Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L.
登録日2003-04-09
公開日2003-08-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications
J.Mol.Biol., 330, 2003
1OS5
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BU of 1os5 by Molmil
Crystal structure of HCV NS5B RNA polymerase complexed with a novel non-competitive inhibitor.
分子名称: 3-(4-AMINO-2-TERT-BUTYL-5-METHYL-PHENYLSULFANYL)-6-CYCLOPENTYL-4-HYDROXY-6-[2-(4-HYDROXY-PHENYL)-ETHYL]-5,6-DIHYDRO-PYRAN-2-ONE, Hepatitis C virus NS5B RNA polymerase
著者Love, R.A, Parge, H.E, Yu, X, Hickey, M.J, Diehl, W, Gao, J, Wriggers, H, Ekker, A, Wang, L, Thomson, J.A, Dragovich, P.S, Fuhrman, S.A.
登録日2003-03-18
公開日2004-03-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic identification of a noncompetitive inhibitor binding site on the hepatitis C virus NS5B RNA polymerase enzyme.
J.Virol., 77, 2003
5U6I
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BU of 5u6i by Molmil
Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity
分子名称: 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION
著者Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W.
登録日2016-12-08
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.
J. Med. Chem., 60, 2017
1P4T
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BU of 1p4t by Molmil
Crystal structure of Neisserial surface protein A (NspA)
分子名称: ETHANOLAMINE, PENTAETHYLENE GLYCOL MONODECYL ETHER, SULFATE ION, ...
著者Vandeputte-Rutten, L, Bos, M.P, Tommassen, J, Gros, P.
登録日2003-04-24
公開日2003-07-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of Neisserial Surface Protein A (NspA), a conserved outer membrane protein with vaccine potential
J.Biol.Chem., 278, 2003
1P73
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Crystal structure of EHV4-TK complexed with TP4A
分子名称: P1-(5'-ADENOSYL)P4-(5'-(2'-DEOXY-THYMIDYL))TETRAPHOSPHATE, SULFATE ION, Thymidine kinase
著者Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A.
登録日2003-04-30
公開日2003-11-04
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases.
Structure, 11, 2003
1JLD
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Potent hiv protease inhibitors containing a novel (hydroxyethyl)amide isostere
分子名称: (2S)-2-tert-butyl-N~4~-(1-ethylpropyl)-N~1~-[(2R,3S)-2-hydroxy-4-phenyl-3-{[N-(quinolin-2-ylcarbonyl)-L-threonyl]amino}butyl]butanediamide, Pol polyprotein
著者Tong, L.
登録日1997-05-31
公開日1997-12-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Potent HIV protease inhibitors containing a novel (hydroxyethyl)amide isostere.
J.Med.Chem., 40, 1997
5TSQ
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BU of 5tsq by Molmil
Crystal structure of IUnH from Leishmania braziliensis in complex with D-Ribose
分子名称: CALCIUM ION, IUnH, beta-D-ribofuranose
著者Bachega, J.F.R, Timmers, L.F.S.M, Dalberto, P.F, Martinelli, L, Pinto, A.F.M, Basso, L.A, Norberto de Souza, O, Santos, D.S.
登録日2016-10-31
公開日2016-12-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Crystal structure of IUnH from Leishmania braziliensis in complex with D-Ribose
To Be Published
1OUR
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BU of 1our by Molmil
LecB (PA-LII) in complex with mannose
分子名称: CALCIUM ION, alpha-D-mannopyranose, hypothetical protein LecB
著者Loris, R, Tielker, D, Jaeger, K.-E, Wyns, L.
登録日2003-03-25
公開日2003-09-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural Basis of Carbohydrate Recognition by the Lectin LecB from Pseudomonas aeruginosa
J.MOL.BIOL., 331, 2003
7QCQ
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BU of 7qcq by Molmil
VHH Z70 in interaction with PHF6 Tau peptide
分子名称: GLYCEROL, Tau 301-312, VHH Z70
著者Danis, C, Dupre, E, Zejneli, O, Caillierez, R, Arrial, A, Begard, S, Loyens, A, Mortelecque, J, Cantrelle, F.-X, Hanoulle, X, Rain, J.-C, Colin, M, Buee, L, Landrieu, I.
登録日2021-11-25
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Inhibition of Tau seeding by targeting Tau nucleation core within neurons with a single domain antibody fragment.
Mol.Ther., 30, 2022
5U1T
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Crystal structure of the Saccharomyces cerevisiae separase-securin complex at 2.6 angstrom resolution
分子名称: Securin, Separin
著者Luo, S, Tong, L.
登録日2016-11-29
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular mechanism for the regulation of yeast separase by securin.
Nature, 542, 2017

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