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1UR3
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Crystal structure of the apo form of the E.coli ydhF protein
分子名称: HYPOTHETICAL OXIDOREDUCTASE YDHF, SULFATE ION
著者Jeudy, S, Claverie, J.M, Abergel, C.
登録日2003-10-24
公開日2003-12-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Crystal Structure of Ydhf the E.Coli Aldo-Keto Reductase Ydhf
To be Published
1UWF
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BU of 1uwf by Molmil
1.7 A resolution structure of the receptor binding domain of the FimH adhesin from uropathogenic E. coli
分子名称: FIMH PROTEIN, GLYCEROL, butyl alpha-D-mannopyranoside
著者Bouckaert, J, Berglund, J, Genst, E.D, Cools, L, Hung, C.-S, Wuhrer, M, Zavialov, A, Langermann, S, Hultgren, S, Wyns, L, Oscarson, S, Knight, S.D, De Greve, H.
登録日2004-02-05
公開日2005-02-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Receptor Binding Studies Disclose a Novel Class of High-Affinity Inhibitors of the Escherichia Coli Fimh Adhesin.
Mol.Microbiol., 55, 2005
7M62
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BU of 7m62 by Molmil
Cryo-EM structure of human islet amyloid polypeptide (hIAPP, or amylin) fibrils seeded by patient extracted fibrils, polymorph 2
分子名称: Islet amyloid polypeptide
著者Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S.
登録日2021-03-25
公開日2021-09-22
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structures of hIAPP fibrils seeded by patient-extracted fibrils reveal new polymorphs and conserved fibril cores
Nat.Struct.Mol.Biol., 28, 2021
1TK5
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BU of 1tk5 by Molmil
T7 DNA polymerase binary complex with 8 oxo guanosine in the templating strand
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-D(*CP*CP*CP*(8OG)P*CP*TP*GP*GP*CP*AP*CP*TP*GP*GP*CP*CP*GP*TP*CP*GP*TP*TP*TP*TP*CP*G)-3', 5'-D(*CP*GP*AP*AP*A*GP*CP*CP*AP*GP*TP*GP*CP*CP*AP*(DDG)P*TP*GP*CP*AP*A)-3', ...
著者Brieba, L.G, Eichman, B.F, Kokoska, R.J, Doublie, S, Kunkel, T.A, Ellenberger, T.
登録日2004-06-08
公開日2004-08-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the dual coding potential of 8-oxoguanosine by a high-fidelity DNA polymerase.
Embo J., 23, 2004
7M65
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BU of 7m65 by Molmil
Cryo-EM structure of human islet amyloid polypeptide (hIAPP, or amylin) fibrils seeded by patient extracted fibrils, polymorph 4
分子名称: Islet amyloid polypeptide
著者Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S.
登録日2021-03-25
公開日2021-09-22
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM structures of hIAPP fibrils seeded by patient-extracted fibrils reveal new polymorphs and conserved fibril cores
Nat.Struct.Mol.Biol., 28, 2021
6R2Z
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BU of 6r2z by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) F437L variant in complex with the covalent adduct formed between prFMN cofactor and phenylpropiolic acid (Int1')
分子名称: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
著者Bailey, S.S, Leys, D.
登録日2019-03-19
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
7M61
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BU of 7m61 by Molmil
Cryo-EM structure of human islet amyloid polypeptide (hIAPP, or amylin) fibrils seeded by patient extracted fibrils, polymorph 1
分子名称: Islet amyloid polypeptide
著者Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S.
登録日2021-03-25
公開日2021-09-22
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structures of hIAPP fibrils seeded by patient-extracted fibrils reveal new polymorphs and conserved fibril cores
Nat.Struct.Mol.Biol., 28, 2021
7M64
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Cryo-EM structure of human islet amyloid polypeptide (hIAPP, or amylin) fibrils seeded by patient extracted fibrils, polymorph 3
分子名称: Islet amyloid polypeptide
著者Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S.
登録日2021-03-25
公開日2021-09-22
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM structures of hIAPP fibrils seeded by patient-extracted fibrils reveal new polymorphs and conserved fibril cores
Nat.Struct.Mol.Biol., 28, 2021
3NVE
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BU of 3nve by Molmil
MMHFGN segment 138-143 from Syrian Hamster prion
分子名称: Major prion protein
著者Apostol, M.I, Sawaya, M.R, Eisenberg, D.
登録日2010-07-08
公開日2011-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Atomic structures suggest determinants of transmission barriers in Mammalian prion disease.
Biochemistry, 50, 2011
4AX7
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BU of 4ax7 by Molmil
Hypocrea jecorina Cel6A D221A mutant soaked with 4-Methylumbelliferyl- beta-D-cellobioside
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-hydroxy-4-methyl-2H-chromen-2-one, EXOGLUCANASE 2, ...
著者Wu, M, Nerinckx, W, Piens, K, Ishida, T, Hansson, H, Stahlberg, J, Sandgren, M.
登録日2012-06-11
公開日2013-01-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rational Design, Synthesis, Evaluation and Enzyme-Substrate Structures of Improved Fluorogenic Substrates for Family 6 Glycoside Hydrolases.
FEBS J., 280, 2013
6R3O
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BU of 6r3o by Molmil
Aspergillus niger ferric acid decarboxylase (Fdc) L439G variant in complex with prFMN (purified in the radical form) and phenylpropiolic acid
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
著者Bailey, S.S, Leys, D.
登録日2019-03-20
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
to be published
6FXT
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BU of 6fxt by Molmil
Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Fe2+, Mn2+, UDP-Glc
分子名称: 2-OXOGLUTARIC ACID, 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Scietti, L, Chiapparino, A, De Giorgi, F, Fumagalli, M, Khoriauli, L, Nergadze, S, Basu, S, Olieric, V, Banushi, B, Giulotto, E, Gissen, P, Forneris, F.
登録日2018-03-09
公開日2018-08-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3.
Nat Commun, 9, 2018
4B4F
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BU of 4b4f by Molmil
Thermobifida fusca Cel6B(E3) co-crystallized with cellobiose
分子名称: BETA-1,4-EXOCELLULASE, CALCIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Sandgren, M, Wu, M, Stahlberg, J, Karkehabadi, S, Mitchinson, C, Kelemen, B.R, Larenas, E.A, Hansson, H.
登録日2012-07-30
公開日2012-12-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Structure of a Bacterial Cellobiohydrolase: The Catalytic Core of the Thermobifida Fusca Family Gh6 Cellobiohydrolase Cel6B.
J.Mol.Biol., 425, 2013
1TEX
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BU of 1tex by Molmil
Mycobacterium smegmatis Stf0 Sulfotransferase with Trehalose
分子名称: Stf0 Sulfotransferase, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
著者Mougous, J.D, Petzold, C.J, Senaratne, R.H, Lee, D.H, Akey, D.L, Lin, F.L, Munchel, S.E, Pratt, M.R, Riley, L.W, Leary, J.A, Berger, J.M, Bertozzi, C.R.
登録日2004-05-25
公開日2004-07-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification, function and structure of the mycobacterial sulfotransferase that initiates sulfolipid-1 biosynthesis.
Nat.Struct.Mol.Biol., 11, 2004
1TFF
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BU of 1tff by Molmil
Structure of Otubain-2
分子名称: Ubiquitin thiolesterase protein OTUB2
著者Nanao, M.H, Tcherniuk, S.O, Chroboczek, J, Dideberg, O, Dessen, A, Balakirev, M.Y.
登録日2004-05-27
公開日2004-08-03
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human otubain 2.
Embo Rep., 5, 2004
4AVO
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BU of 4avo by Molmil
Thermobifida fusca cellobiohydrolase Cel6B catalytic mutant D274A cocrystallized with cellobiose
分子名称: ACETATE ION, BETA-1,4-EXOCELLULASE, CALCIUM ION, ...
著者Wu, M, Vuong, T.V, Wilson, D.B, Sandgren, M, Stahlberg, J, Hansson, H.
登録日2012-05-28
公開日2013-06-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Loop Motions Important to Product Expulsion in the Thermobifida Fusca Glycoside Hydrolase Family 6 Cellobiohydrolase from Structural and Computational Studies.
J.Biol.Chem., 288, 2013
1TFQ
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BU of 1tfq by Molmil
NMR Structure of an Antagonists of the XIAP-Caspase-9 Interaction Complexed to the BIR3 domain of XIAP
分子名称: Baculoviral IAP repeat-containing protein 4, N-METHYLALANYL-3-METHYLVALYL-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE, ZINC ION
著者Oost, T.K, Sun, C, Armstrong, R.C, Al-Assaad, A.S, Betz, S.F, Deckwerth, T.L, Elmore, S.W, Meadows, R.P, Olejniczak, E.T, Oleksijew, A, Oltersdorf, T, Rosenberg, S.H, Shoemaker, A.R, Zou, H, Fesik, S.W.
登録日2004-05-27
公開日2004-09-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Discovery of Potent Antagonists of the Antiapoptotic Protein XIAP for the Treatment of Cancer.
J.Med.Chem., 47, 2004
4B8D
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BU of 4b8d by Molmil
TENSEGRITY TRIANGLE FROM ENZYMATICALLY MANUFACTURED DNA
分子名称: 5'-D(*CP*CP*GP*TP*AP*CP*AP)-3', 5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*DGP *GP*AP*CP*AP*TP*CP*A)-3', 5'-D(*GP*GP*CP*TP*GP*CP)-3', ...
著者Ducani, C, Kaul, C.D, Moche, M, Shih, W.M, Hogberg, B.
登録日2012-08-26
公開日2013-06-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (4.79 Å)
主引用文献Enzymatic Production of 'Monoclonal Stoichiometric' Single-Stranded DNA Oligonucleotides
Nat.Methods, 10, 2013
6G1P
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BU of 6g1p by Molmil
Apo form of ADP-ribosylserine hydrolase ARH3 of Latimeria chalumnae
分子名称: ACETATE ION, ADP-ribosylhydrolase like 2, CITRIC ACID, ...
著者Ariza, A.
登録日2018-03-21
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献(ADP-ribosyl)hydrolases: Structural Basis for Differential Substrate Recognition and Inhibition.
Cell Chem Biol, 25, 2018
3OAP
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BU of 3oap by Molmil
Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 9-cis retinoic acid and the coactivator peptide GRIP-1
分子名称: (9cis)-retinoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Xia, G, Smith, C.D, Muccio, D.D.
登録日2010-08-05
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure, Energetics and Dynamics of Binding Coactivator Peptide to Human Retinoid X Receptor Alpha Ligand Binding Domain Complex with 9-cis-Retinoic Acid.
Biochemistry, 50, 2011
4AU0
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BU of 4au0 by Molmil
Hypocrea jecorina Cel6A D221A mutant soaked with 6-chloro-4- methylumbelliferyl-beta-cellobioside
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one, EXOGLUCANASE 2, ...
著者Wu, M, Nerinckx, W, Piens, K, Ishida, T, Hansson, H, Stahlberg, J, Sandgren, M.
登録日2012-05-11
公開日2013-01-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rational Design, Synthesis, Evaluation and Enzyme-Substrate Structures of Improved Fluorogenic Substrates for Family 6 Glycoside Hydrolases.
FEBS J., 280, 2013
1TK0
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BU of 1tk0 by Molmil
T7 DNA polymerase ternary complex with 8 oxo guanosine and ddCTP at the insertion site
分子名称: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-D(*CP*CP*CP*(8OG)P*CP*TP*GP*GP*CP*AP*CP*TP*GP*GP*CP*CP*GP*TP*CP*GP*TP*TP*TP*TP*CP*G)-3', ...
著者Brieba, L.G, Eichman, B.F, Kokoska, R.J, Doublie, S, Kunkel, T.A, Ellenberger, T.
登録日2004-06-07
公開日2004-08-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for the dual coding potential of 8-oxoguanosine by a high-fidelity DNA polymerase.
Embo J., 23, 2004
7LD0
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BU of 7ld0 by Molmil
Cryo-EM structure of ligand-free Human SARM1
分子名称: NAD(+) hydrolase SARM1
著者Nanson, J.D, Gu, W, Luo, Z, Jia, X, Landsberg, M.J, Kobe, B, Ve, T.
登録日2021-01-12
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration.
Neuron, 109, 2021
1T1L
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BU of 1t1l by Molmil
Crystal structure of the long-chain fatty acid transporter FadL
分子名称: LAURYL DIMETHYLAMINE-N-OXIDE, Long-chain fatty acid transport protein
著者van den Berg, B, Black, P.N, Clemons Jr, W.M, Rapoport, T.A.
登録日2004-04-16
公開日2004-06-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the long-chain fatty acid transporter FadL.
Science, 304, 2004
6GQQ
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Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 35)
分子名称: Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
著者Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
登録日2018-06-07
公開日2018-09-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018

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