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5CIX
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BU of 5cix by Molmil
Structure of the complex of type 1 Ribosome inactivating protein with triethanolamine at 1.88 Angstrom resolution
分子名称: 2,2',2''-NITRILOTRIETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, ...
著者Singh, P.K, Pandey, S, Tyagi, T.K, Singh, A, Kaur, P, Sharma, S, Singh, T.P.
登録日2015-07-13
公開日2015-08-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure of the complex of type 1 Ribosome inactivating protein with triethanolamine at 1.88 Angstrom resolution.
To Be Published
8UNF
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BU of 8unf by Molmil
Cryo-EM structure of T4 Bacteriophage Clamp Loader with Sliding Clamp and DNA
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Sliding clamp, ...
著者Huang, Y, Marcus, K, Subramanian, S, Gee, L.C, Gorday, K, Ghaffari-Kashani, S, Luo, X, Zhang, L, O'Donnell, M, Subramanian, S, Kuriyan, J.
登録日2023-10-18
公開日2023-12-13
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Autoinhibition of a clamp-loader ATPase revealed by deep mutagenesis and cryo-EM.
Nat.Struct.Mol.Biol., 31, 2024
5C50
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BU of 5c50 by Molmil
Crystal structure of the complex of human Atg101-Atg13 HORMA domain
分子名称: Autophagy-related protein 101, Autophagy-related protein 13, BENZAMIDINE
著者Qi, S, Hurley, J.H.
登録日2015-06-19
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structure of the Human Atg13-Atg101 HORMA Heterodimer: an Interaction Hub within the ULK1 Complex.
Structure, 23, 2015
2BMD
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BU of 2bmd by Molmil
high resolution structure of GDP-bound human Rab4a
分子名称: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, RAS-RELATED PROTEIN RAB4A
著者Scheidig, A.J, Huber, S.K.
登録日2005-03-13
公開日2005-04-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High Resolution Crystal Structures of Human Rab4A in its Active and Inactive Conformations.
FEBS Lett., 579, 2005
1P6N
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BU of 1p6n by Molmil
Bovine endothelial NOS heme domain with L-N(omega)-nitroarginine-(4R)-amino-L-proline amide bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ...
著者Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
登録日2003-04-29
公開日2004-01-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase.
Nat.Struct.Mol.Biol., 11, 2004
8V4G
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BU of 8v4g by Molmil
X-ray structure of the NADP-dependent reductase from Campylobacter jejuni responsible for the synthesis of CDP-glucitol in the presence of CDP and NADP
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CYTIDINE-5'-DIPHOSPHATE, ...
著者Schumann, M.E, Thoden, J.B, Holden, H.M, Raushel, F.M.
登録日2023-11-29
公開日2023-12-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biosynthesis of Cytidine Diphosphate-6-d-Glucitol for the Capsular Polysaccharides of Campylobacter jejuni.
Biochemistry, 63, 2024
4MNM
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BU of 4mnm by Molmil
Crystal Structure of GH18 Chitinase (G77W/E119Q mutant) from Cycas revoluta in complex with (GlcNAc)4
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A, ...
著者Umemoto, N, Numata, T, Ohnuma, T, Osawa, T, Taira, T, Fukamizo, T.
登録日2013-09-11
公開日2014-09-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of GH18 Chitinase from Cycad, Cycas revoluta
To be Published
5FJK
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BU of 5fjk by Molmil
Crystal structure of human JMJD2C catalytic domain in complex 6-ethyl- 5-methyl-7-oxo-4,7-dihydropyrazolo(1,5-a)pyrimidine-3-carbonitrile
分子名称: 1,2-ETHANEDIOL, 6-ethyl-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, CHLORIDE ION, ...
著者Cecatiello, V, Pasqualato, S.
登録日2015-10-09
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal Structures of Human Jmjd2C Catalytic Domain Bound to Inhibitors
To be Published
3CHD
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BU of 3chd by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with dipeptide
分子名称: (2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanoyl]-methyl-amino]-3-phenyl-propanoic acid, Chitinase, SULFATE ION
著者Andersen, O.A, van Aalten, D.M.F.
登録日2008-03-09
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Chem.Biol., 15, 2008
5FWE
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BU of 5fwe by Molmil
JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H4(1-15)R3me2s PEPTIDE
分子名称: CHLORIDE ION, GLYCEROL, LYSINE-SPECIFIC DEMETHYLASE 4A, ...
著者Chowdhury, R, Walport, L.J, Schofield, C.J.
登録日2016-02-15
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Arginine Demethylation is Catalysed by a Subset of Jmjc Histone Lysine Demethylases.
Nat.Commun., 7, 2016
2BHK
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BU of 2bhk by Molmil
Crystal structure of human growth and differentiation factor 5 (GDF5)
分子名称: GROWTH DIFFERENTIATION FACTOR 5, ISOPROPYL ALCOHOL
著者Schreuder, H, Liesum, A, Pohl, J, Kruse, M, Koyama, M.
登録日2005-01-12
公開日2005-03-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of Recombinant Human Growth Differentiation Factor 5. Evidence for Interaction of the Type I and Type II Receptor Binding Sites.
Biochem.Biophys.Res.Commun., 329, 2005
2BX8
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BU of 2bx8 by Molmil
Human serum albumin complexed with azapropazone
分子名称: AZAPROPAZONE, SERUM ALBUMIN
著者Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S.
登録日2005-07-25
公開日2005-09-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
1OS7
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BU of 1os7 by Molmil
Crystal structure of TauD with iron, alpha-ketoglutarate and Taurine bound at pH 7.5
分子名称: 2-AMINOETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent taurine dioxygenase, ...
著者O'Brien, J.R, Schuller, D.J, Yang, V.S, Dillard, B.D, Lanzilotta, W.N.
登録日2003-03-18
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Substrate-Induced Conformational Changes in Escherichia coli Taurine/alpha-Ketoglutarate Dioxygenase and Insight Into the Oligomeric Structure
Biochemistry, 42, 2003
7QBP
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BU of 7qbp by Molmil
Crystal structure of R2-like ligand-binding oxidase from Saccharopolyspora Erythraea
分子名称: FE (III) ION, MANGANESE (III) ION, PALMITIC ACID, ...
著者Srinivas, V, Diamanti, R, Lebrette, H, Hogbom, M.
登録日2021-11-19
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Comparative structural analysis provides new insights into the function of R2-like ligand-binding oxidase.
Febs Lett., 596, 2022
7QCO
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BU of 7qco by Molmil
The structure of Photosystem I tetramer from Chroococcidiopsis TS-821, a thermophilic, unicellular, non-heterocyst-forming cyanobacterium
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, CHLOROPHYLL A, ...
著者Semchonok, D.A, Mondal, J, Cooper, J.C, Schlum, K, Li, M, Amin, M, Sorzano, C.O.S, Ramirez-Aportela, E, Kastritis, P.L, Boekema, E.J, Guskov, A, Bruce, B.D.
登録日2021-11-24
公開日2022-04-06
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structure of a tetrameric photosystem I from Chroococcidiopsis TS-821, a thermophilic, unicellular, non-heterocyst-forming cyanobacterium.
Plant Commun., 3, 2022
5FOI
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BU of 5foi by Molmil
Crystal structure of mycinamicin VIII C21 methyl hydroxylase MycCI from Micromonospora griseorubida bound to mycinamicin VIII
分子名称: GLYCEROL, MYCINAMICIN VIII C21 METHYL HYDROXYLASE, Mycinamicin VIII, ...
著者Demars, M, Sheng, F, Podust, L.M, Sherman, D.H.
登録日2015-11-22
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Biochemical and Structural Characterization of Mycci, a Versatile P450 Biocatalyst from the Mycinamicin Biosynthetic Pathway.
Acs Chem.Biol., 11, 2016
4MTK
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BU of 4mtk by Molmil
Crystal structure of PA0091 VgrG1, the central spike of the Type VI Secretion System
分子名称: SULFATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE, VgrG1
著者Sycheva, L.V, Shneider, M.M, Leiman, P.G.
登録日2013-09-19
公開日2014-10-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.322 Å)
主引用文献The conserved architecture of the T6SS central spike complex
To be Published
5C8M
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BU of 5c8m by Molmil
EGFR kinase domain mutant "TMLR" with compound 17
分子名称: 2-methyl-N-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor
著者Eigenbrot, C, Yu, C.
登録日2015-06-25
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
4MJK
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BU of 4mjk by Molmil
Crystal structure of a CRISPR protein from Archaeoglobus fulgidus
分子名称: CRISPR protein
著者Huang, Q.Q.
登録日2013-09-03
公開日2014-09-03
実験手法X-RAY DIFFRACTION (1.953 Å)
主引用文献Crystal structure of a CRISPR protein from Archaeoglobus fulgidus
To be Published
5FZA
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BU of 5fza by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine (N10072a) (ligand modelled based on PANDDA event map)
分子名称: 1,2-ETHANEDIOL, 2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine, CHLORIDE ION, ...
著者Nowak, R, Krojer, T, Pearce, N, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
登録日2016-03-12
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 2-Piperidin-4-Yloxy-5-(Trifluoromethyl)Pyridine (N10072A) (Ligand Modelled Based on Pandda Event Map)
To be Published
7QGQ
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BU of 7qgq by Molmil
Extended H/L (SLPH/SLPL) complex from C. difficile (CD630 strain) fit into R20291 S-layer negative stain map
分子名称: Precursor of the S-layer proteins
著者Banerji, O, Wilson, J.S, Bullough, P.A.
登録日2021-12-09
公開日2022-04-06
最終更新日2024-07-17
実験手法ELECTRON CRYSTALLOGRAPHY
主引用文献Structure and assembly of the S-layer in C. difficile.
Nat Commun, 13, 2022
8UJY
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BU of 8ujy by Molmil
Crystal structure of human WD repeat-containing protein 5 in complex with 4-(3,5-dimethoxybenzyl)-9-(4-fluoro-2-methylphenyl)-7-((2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl)methyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one (compound 8)
分子名称: (9P)-4-[(3,5-dimethoxyphenyl)methyl]-9-(4-fluoro-2-methylphenyl)-7-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-3,4-dihydro-1,4-benzoxazepin-5(2H)-one, WD repeat-containing protein 5
著者Zhao, B, Amporndanai, K, Fesik, S.W.
登録日2023-10-11
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure-Based Discovery of Potent, Orally Bioavailable Benzoxazepinone-Based WD Repeat Domain 5 Inhibitors.
J.Med.Chem., 66, 2023
2WOQ
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BU of 2woq by Molmil
Porphobilinogen Synthase (HemB) in Complex with 5-acetamido-4- oxohexanoic acid (Alaremycin 2)
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ALAREMYCIN 2, ...
著者Heinemann, I.U, Schulz, C, Schubert, W.-D, Heinz, D.W, Wang, Y.-G, Kobayashi, Y, Awa, Y, Wachi, M, Jahn, D, Jahn, M.
登録日2009-07-27
公開日2009-10-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of the heme biosynthetic Pseudomonas aeruginosa porphobilinogen synthase in complex with the antibiotic alaremycin.
Antimicrob. Agents Chemother., 54, 2010
4MKK
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BU of 4mkk by Molmil
Crystal structure of C115A mutant L-methionine gamma-lyase from Citrobacter freundii modified by allicine
分子名称: CHLORIDE ION, Methionine gamma-lyase, POTASSIUM ION, ...
著者Revtovich, S.V, Nikulin, A.D, Morozova, E.A, Zakomirdina, L.N, Demidkina, T.V.
登録日2013-09-05
公開日2014-11-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Alliin is a suicide substrate of Citrobacter freundii methionine gamma-lyase: structural bases of inactivation of the enzyme.
Acta Crystallogr.,Sect.D, 70, 2014
5FYY
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BU of 5fyy by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 3-pyridin-3-ylaniline (N05798a) (ligand modelled based on PANDDA event map)
分子名称: 1,2-ETHANEDIOL, 3-(pyridin-3-yl)aniline, CHLORIDE ION, ...
著者Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Pearce, N, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
登録日2016-03-10
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N05798A
To be Published

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