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2O6D
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BU of 2o6d by Molmil
Structure of native rTp34 from Treponema pallidum
分子名称: 1,2-ETHANEDIOL, 34 kDa membrane antigen, CHLORIDE ION, ...
著者Machius, M, Brautigam, C.A, Deka, R.K, Tomchick, D.R, Lumpkins, S.B, Norgard, M.V.
登録日2006-12-07
公開日2006-12-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structure of the Tp34 (TP0971) lipoprotein of treponema pallidum: implications of its metal-bound state and affinity for human lactoferrin.
J.Biol.Chem., 282, 2007
6MWD
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BU of 6mwd by Molmil
NavAb Voltage-gated Sodium Channel, residues 1-239 with mutation T206S
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ACETATE ION, ...
著者Lenaeus, M.J, Catterall, W.A.
登録日2018-10-29
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.327 Å)
主引用文献Molecular dissection of multiphase inactivation of the bacterial sodium channel NaVAb.
J. Gen. Physiol., 151, 2019
7KJR
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BU of 7kjr by Molmil
Cryo-EM structure of SARS-CoV-2 ORF3a
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Apolipoprotein A-I, ORF3a protein
著者Kern, D.M, Hoel, C.M, Kotecha, A, Brohawn, S.G.
登録日2020-10-26
公開日2020-11-18
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.08 Å)
主引用文献Cryo-EM structure of SARS-CoV-2 ORF3a in lipid nanodiscs.
Nat.Struct.Mol.Biol., 28, 2021
4Q6D
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BU of 4q6d by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-[(Z)-azepan-1-yldiazenyl]benzenesulfonamide
分子名称: 4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-04-22
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献4-Amino-substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
Molecules, 19, 2014
3BVP
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BU of 3bvp by Molmil
Crystal Structure of the N-terminal Catalytic Domain of TP901-1 Integrase
分子名称: TP901-1 Integrase
著者Yuan, P, Van Duyne, G.D.
登録日2008-01-07
公開日2008-08-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Tetrameric structure of a serine integrase catalytic domain.
Structure, 16, 2008
7K21
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BU of 7k21 by Molmil
Cryo-EM structure of pyrene-labeled ADP-Pi-actin filaments
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Chou, S.Z, Pollard, T.D.
登録日2020-09-08
公開日2020-11-04
最終更新日2025-04-02
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-electron microscopy structures of pyrene-labeled ADP-P i - and ADP-actin filaments.
Nat Commun, 11, 2020
6FIF
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BU of 6fif by Molmil
Crystal structure of the BRI1 Gly644-Asp (bri1-6) mutant from Arabidopsis thaliana.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Hothorn, M, Santiago, J, Hohmann, U.
登録日2018-01-18
公開日2018-01-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Mechanistic basis for the activation of plant membrane receptor kinases by SERK-family coreceptors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4MBH
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BU of 4mbh by Molmil
Penam sulfone PSR-3-226 bound to E166A variant of SHV-1 beta-lactamase
分子名称: 3-(formylamino)-L-alanine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, ...
著者Rodkey, E.A, van den Akker, F.
登録日2013-08-19
公開日2014-07-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Penam sulfones and beta-lactamase inhibition: SA2-13 and the importance of the C2 side chain length and composition.
Plos One, 9, 2014
1YXP
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BU of 1yxp by Molmil
HIV-1 DIS RNA subtype F- Zn soaked
分子名称: 5'-R(*CP*UP*(5BU)P*GP*CP*UP*GP*AP*AP*GP*UP*GP*CP*AP*CP*AP*CP*AP*GP*CP*AP*AP*G)-3', ZINC ION
著者Ennifar, E, Dumas, P.
登録日2005-02-22
公開日2006-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Polymorphism of Bulged-out Residues in HIV-1 RNA DIS Kissing Complex and Structure Comparison with Solution Studies.
J.Mol.Biol., 356, 2006
6SHM
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BU of 6shm by Molmil
An inactive (D136A and D137A) variant of alpha-1,6-mannanase, GH76A of Salegentibacter sp. HEL1_6 in complex with alpha-1,6-mannotetrose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Mutant alpha-1,6-mannanase GH76A, ...
著者Hehemann, J.H, Solanki, V.
登録日2019-08-07
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Glycoside hydrolase from the GH76 family indicates that marine Salegentibacter sp. Hel_I_6 consumes alpha-mannan from fungi.
Isme J, 2022
3L6T
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BU of 3l6t by Molmil
Crystal Structure of an N-terminal Mutant of the Plasmid pCU1 TraI Relaxase Domain
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ...
著者Redinbo, M.R, Nash, R.P.
登録日2009-12-24
公開日2010-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The mechanism and control of DNA transfer by the conjugative relaxase of resistance plasmid pCU1.
Nucleic Acids Res., 38, 2010
7K41
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BU of 7k41 by Molmil
Bacterial O-GlcNAcase (OGA) with compound
分子名称: 1,2-ETHANEDIOL, 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine, ACETATE ION, ...
著者Lane, W, Tjhen, R, Snell, G, Sang, B.
登録日2020-09-14
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a Novel and Brain-Penetrant O -GlcNAcase Inhibitor via Virtual Screening, Structure-Based Analysis, and Rational Lead Optimization.
J.Med.Chem., 64, 2021
1NY0
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BU of 1ny0 by Molmil
Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (NBF)
分子名称: Beta-lactamase TEM, PHOSPHATE ION, POTASSIUM ION, ...
著者Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K.
登録日2003-02-11
公開日2003-08-26
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Recognition and Resistance in TEM beta-lactamase
Biochemistry, 42, 2003
3KU3
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BU of 3ku3 by Molmil
Crystal structure of a H2N2 influenza virus hemagglutinin, avian like
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Xu, R, Wilson, I.A.
登録日2009-11-26
公開日2010-01-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure, receptor binding, and antigenicity of influenza virus hemagglutinins from the 1957 H2N2 pandemic.
J.Virol., 84, 2010
1X9H
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BU of 1x9h by Molmil
Crystal structure of phosphoglucose/phosphomannose isomerase from Pyrobaculum aerophilum in complex with fructose 6-phosphate
分子名称: FRUCTOSE -6-PHOSPHATE, GLYCEROL, SULFATE ION, ...
著者Swan, M.K, Hansen, T, Schoenheit, P, Davies, C.
登録日2004-08-21
公開日2004-12-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for phosphomannose isomerase activity in phosphoglucose isomerase from Pyrobaculum aerophilum: a subtle difference between distantly related enzymes.
Biochemistry, 43, 2004
1RML
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BU of 1rml by Molmil
NMR STUDY OF ACID FIBROBLAST GROWTH FACTOR BOUND TO 1,3,6-NAPHTHALENE TRISULPHONATE, 26 STRUCTURES
分子名称: ACIDIC FIBROBLAST GROWTH FACTOR, NAPHTHALENE TRISULFONATE
著者Lozano, R.M, Jimenez, M.A, Santoro, J, Rico, M, Gimenez-Gallego, G.
登録日1998-05-21
公開日1998-11-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of acidic fibroblast growth factor bound to 1,3, 6-naphthalenetrisulfonate: a minimal model for the anti-tumoral action of suramins and suradistas.
J.Mol.Biol., 281, 1998
4KCB
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BU of 4kcb by Molmil
Crystal Structure of Exo-1,5-alpha-L-arabinanase from Bovine Ruminal Metagenomic Library
分子名称: Arabinan endo-1,5-alpha-L-arabinosidase, PHOSPHATE ION
著者Santos, C.R, Polo, C.C, Costa, M.C.M.F, Nascimento, A.F.Z, Wong, D.W.S, Murakami, M.T.
登録日2013-04-24
公開日2014-02-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Mechanistic strategies for catalysis adopted by evolutionary distinct family 43 arabinanases.
J.Biol.Chem., 289, 2014
4HO0
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BU of 4ho0 by Molmil
Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus
分子名称: Glucose-1-phosphate thymidylyltransferase, SULFATE ION
著者Chen, T.J, Chien, W.T, Lin, C.C, Wang, W.C.
登録日2012-10-22
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus
TO BE PUBLISHED
5HF9
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BU of 5hf9 by Molmil
Crystal structure of human acetylcholinesterase in complex with paraoxon and HI6
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Franklin, M.F, Rudolph, M.J, Ginter, C, Cassidy, M.S, Cheung, J.
登録日2016-01-06
公開日2016-06-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface.
Proteins, 84, 2016
3B3F
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BU of 3b3f by Molmil
The 2.2 A crystal structure of the catalytic domain of coactivator-associated arginine methyl transferase I(CARM1,142-478), in complex with S-adenosyl homocysteine
分子名称: Histone-arginine methyltransferase CARM1, S-ADENOSYL-L-HOMOCYSTEINE
著者Troffer-Charlier, N, Cura, V, Hassenboehler, P, Moras, D, Cavarelli, J.
登録日2007-10-22
公開日2007-11-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Functional insights from structures of coactivator-associated arginine methyltransferase 1 domains.
Embo J., 26, 2007
2W83
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BU of 2w83 by Molmil
Crystal structure of the ARF6 GTPase in complex with a specific effector, JIP4
分子名称: 1,4-DIETHYLENE DIOXIDE, ADP-RIBOSYLATION FACTOR 6, C-JUN-AMINO-TERMINAL KINASE-INTERACTING PROTEIN 4, ...
著者Isabet, T, Montagnac, G, Regazzoni, K, Raynal, B, El Khadali, F, Franco, M, England, P, Chavrier, P, Houdusse, A, Menetrey, J.
登録日2009-01-08
公開日2009-07-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The Structural Basis of Arf Effector Specificity: The Crystal Structure of Arf6 in a Complex with Jip4.
Embo J., 28, 2009
5SLA
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BU of 5sla by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1003207278
分子名称: 1-cyclohexyl-N-methylmethanesulfonamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
著者Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
登録日2022-03-03
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献PanDDA analysis group deposition
To Be Published
1HW4
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BU of 1hw4 by Molmil
STRUCTURE OF THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS
分子名称: 1,2-ETHANEDIOL, SULFATE ION, THYMIDYLATE SYNTHASE
著者Phan, J, Steadman, J.D, Koli, S, Ding, W.C, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L.
登録日2001-01-09
公開日2001-01-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors.
J.Biol.Chem., 276, 2001
1ZKY
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BU of 1zky by Molmil
Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-3M and A Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide
分子名称: 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL, Estrogen receptor, Nuclear receptor coactivator 2
著者Rajan, S.S, Hsieh, R.W, Sharma, S.K, Hahm, J.B, Nettles, K.W, Greene, G.L.
登録日2005-05-04
公開日2006-05-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Identification of ligands with bicyclic scaffolds provides insights into mechanisms of estrogen receptor subtype selectivity.
J.Biol.Chem., 281, 2006
4KIU
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BU of 4kiu by Molmil
Design and structural analysis of aromatic inhibitors of type II dehydroquinate dehydratase from Mycobacterium tuberculosis - compound 49d [5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid]
分子名称: 3-dehydroquinate dehydratase, 5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid
著者Dias, M.V.B, Howard, N.G, Blundell, T.L, Abell, C.
登録日2013-05-02
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase from Mycobacterium tuberculosis.
Chemmedchem, 10, 2015

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