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8AF1
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Beta-Lytic Protease from Lysobacter capsici
分子名称: CHLORIDE ION, FORMIC ACID, GLYCEROL, ...
著者Gabdulkhakov, A.G, Tishchenko, T.V, Kudryakova, I.V, Afoshin, A.S, Vasilyeva, N.V.
登録日2022-07-15
公開日2023-08-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structural and Functional Characterization of beta-lytic Protease from Lysobacter capsici VKM B-2533 T.
Int J Mol Sci, 23, 2022
6QG8
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BU of 6qg8 by Molmil
Structure of human Bcl-2 in complex with PUMA BH3 peptide
分子名称: Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, Bcl-2-binding component 3
著者Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
登録日2019-01-10
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
2JAM
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BU of 2jam by Molmil
Crystal structure of human calmodulin-dependent protein kinase I G
分子名称: 1,2-ETHANEDIOL, 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, CALCIUM ION, ...
著者Debreczeni, J.E, Bullock, A, Keates, T, Niesen, F.H, Salah, E, Shrestha, L, Smee, C, Sobott, F, Pike, A.C.W, Bunkoczi, G, von Delft, F, Turnbull, A, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Knapp, S.
登録日2006-11-29
公開日2007-03-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Human Calmodulin-Dependent Protein Kinase I G
To be Published
6QK1
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R2-like ligand-binding oxidase Y175F mutant with aerobically reconstituted Mn/Fe cofactor
分子名称: FE (III) ION, MANGANESE (II) ION, MANGANESE (III) ION, ...
著者Griese, J.J, Hogbom, M.
登録日2019-01-28
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献Key Structural Motifs Balance Metal Binding and Oxidative Reactivity in a Heterobimetallic Mn/Fe Protein.
J.Am.Chem.Soc., 142, 2020
6QKD
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BU of 6qkd by Molmil
CRYSTAL STRUCTURE OF vhh-based FAB-fragment of antibody BCD-085
分子名称: CHLORIDE ION, FAB HEAVY CHAIN, FAB LIGHT CHAIN, ...
著者Kostareva, O.S, Kolyadenko, I.A, Ulitin, A.B, Ekimova, V.M, Evdokimov, S.R, Garber, M.B, Tishchenko, T.V, Gabdulkhakov, A.G.
登録日2019-01-29
公開日2019-07-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fab Fragment of VHH-Based Antibody Netakimab: Crystal Structure and Modeling Interaction with Cytokine IL-17A
Crystals, 2019
6FS7
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BU of 6fs7 by Molmil
Influenza A/California/04/2009 (pH1N1) endonuclease with I38T mutation with bound inhibitor, baloxavir acid (BXA)
分子名称: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein,Polymerase acidic protein
著者Cusack, S, Speranzini, V.
登録日2018-02-19
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Characterization of influenza virus variants induced by treatment with the endonuclease inhibitor baloxavir marboxil.
Sci Rep, 8, 2018
5KNJ
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BU of 5knj by Molmil
Pseudokinase Domain of MLKL bound to Compound 1.
分子名称: 1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea, Mixed lineage kinase domain-like protein
著者Marcotte, D.J.
登録日2016-06-28
公開日2016-11-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献ATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis.
Plos One, 11, 2016
6FUB
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BU of 6fub by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikE with the HMA domain of Pikm-1 from rice (Oryza sativa)
分子名称: AVR-Pik protein, NBS-LRR class disease resistance protein
著者Franceschetti, M, De la Concepcion, J.C, Banfield, M.J.
登録日2018-02-26
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Polymorphic residues in rice NLRs expand binding and response to effectors of the blast pathogen.
Nat Plants, 4, 2018
6ZAB
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BU of 6zab by Molmil
Structure of the transcriptional repressor Atu1419 (VanR) from agrobacterium fabrum in complex a palindromic DNA (P6422 space group)
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Morera, S, Naretto, A, Vigouroux, A, Legrand, P.
登録日2020-06-05
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum.
Nucleic Acids Res., 49, 2021
6C84
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BU of 6c84 by Molmil
Crystal structure of PBP5 from Enterococcus faecium
分子名称: Penicillin-binding protein
著者Shamoo, Y, Davlieva, M.
登録日2018-01-24
公開日2019-02-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.511 Å)
主引用文献Crystal structure of PBP5 from Enterococcus faecium
To Be Published
6QGJ
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BU of 6qgj by Molmil
Structure of human Bcl-2 in complex with fragment/ABT-263 hybrid
分子名称: 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1
著者Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
登録日2019-01-11
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6ZFW
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BU of 6zfw by Molmil
X-ray structure of the soluble N-terminal domain of T. cruzi PEX-14
分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, GLYCEROL, ...
著者Softley, C.A, Ostertag, M.O, Sattler, M, Popowicz, G.P.
登録日2020-06-18
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Deep learning model predicts water interaction sites on the surface of proteins using limited-resolution data.
Chem.Commun.(Camb.), 56, 2020
6QHL
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BU of 6qhl by Molmil
14-3-3 sigma with RelA/p65 binding site pS45
分子名称: 14-3-3 protein sigma, GLYCEROL, Transcription factor p65
著者Wolter, M, Ottmann, C.
登録日2019-01-16
公開日2020-05-13
最終更新日2020-12-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products.
J.Am.Chem.Soc., 142, 2020
6FZ3
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BU of 6fz3 by Molmil
Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound
分子名称: 2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ...
著者Kersten, F.C, Brenk, R.
登録日2018-03-13
公開日2019-03-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System.
J.Med.Chem., 63, 2020
6ZI1
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BU of 6zi1 by Molmil
Crystal structure of the isolated H. influenzae VapD toxin (D7N mutant)
分子名称: Endoribonuclease VapD
著者Bertelsen, M.B, Senissar, M, Nielsen, M.H, Bisiak, F, Cunha, M.V, Molinaro, A.L, Daines, D.A, Brodersen, D.E.
登録日2020-06-24
公開日2020-10-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for Toxin Inhibition in the VapXD Toxin-Antitoxin System.
Structure, 29, 2021
6YW0
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BU of 6yw0 by Molmil
Lysine-N,N-Dimethylated HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with BB-287
分子名称: 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid, BICARBONATE ION, Egl nine homolog 1, ...
著者Chowdhury, R, Schofield, C.J.
登録日2020-04-29
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6QJV
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BU of 6qjv by Molmil
R2-like ligand-binding oxidase E69D mutant with aerobically reconstituted Mn/Fe cofactor
分子名称: FE (III) ION, MANGANESE (II) ION, MANGANESE (III) ION, ...
著者Griese, J.J, Hogbom, M.
登録日2019-01-25
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献Key Structural Motifs Balance Metal Binding and Oxidative Reactivity in a Heterobimetallic Mn/Fe Protein.
J.Am.Chem.Soc., 142, 2020
6BSV
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BU of 6bsv by Molmil
Crystal structure of Xyloglucan Xylosyltransferase binary form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, NITRATE ION, ...
著者Zabotina, O.A, Culbertson, A.T, Ehrlich, J.J, Choe, J, Honzatko, R.B.
登録日2017-12-04
公開日2018-05-23
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (2.433 Å)
主引用文献Structure of xyloglucan xylosyltransferase 1 reveals simple steric rules that define biological patterns of xyloglucan polymers.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6G7I
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BU of 6g7i by Molmil
Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 49-406 fs state structure
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
著者Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J.
登録日2018-04-06
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
6G7N
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BU of 6g7n by Molmil
Trichodesmium Tery_3377 (IdiA) (FutA) with iron and alanine ligand.
分子名称: D-ALANINE, D-GLUTAMIC ACID, Extracellular solute-binding protein, ...
著者Machelett, M.M, Tews, I.
登録日2018-04-06
公開日2018-09-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural and functional characterization of IdiA/FutA (Tery_3377), an iron-binding protein from the ocean diazotrophTrichodesmium erythraeum.
J. Biol. Chem., 293, 2018
6GBL
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BU of 6gbl by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
分子名称: 1,2-ETHANEDIOL, CACODYLATE ION, FORMIC ACID, ...
著者Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
登録日2018-04-15
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
8XQU
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BU of 8xqu by Molmil
The Crystal Structure of ClpC1-NTD from Biortus.
分子名称: 1,2-ETHANEDIOL, ATP-dependent Clp protease ATP-binding subunit ClpC1, DI(HYDROXYETHYL)ETHER, ...
著者Wang, F, Cheng, W, Lv, Z, Ju, C, Ni, C.
登録日2024-01-05
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Crystal Structure of ClpC1-NTD from Biortus.
To Be Published
6QAX
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BU of 6qax by Molmil
P31-43
分子名称: LEU-GLY-GLN-GLN-GLN-PRO-PHE-PRO-PRO-GLN-GLN-PRO-TYR
著者Calvanese, L, D'Auria, G, Falcigno, F.
登録日2018-12-19
公開日2019-02-27
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural insights on P31-43, a gliadin peptide able to promote an innate but not an adaptive response in celiac disease.
J.Pept.Sci., 25, 2019
8YDO
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BU of 8ydo by Molmil
Crystal structure of dKeima570
分子名称: Large stokes shift fluorescent protein
著者Nam, K.H.
登録日2024-02-21
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of dKeima570
To Be Published
6GEG
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BU of 6geg by Molmil
TEAD4 (216-434);Y429F COMPLEXED WITH YAP PEPTIDE (60-100); S94A AND MYRISTOATE (COVALENTLY BOUND) AT 2.23A (P41212 CRYSTAL FORM); MYRISTOYLATION WAS DONE BY ADDING MYR-COA
分子名称: MYRISTIC ACID, Transcriptional coactivator YAP1, Transcriptional enhancer factor TEF-3
著者Kallen, J.
登録日2018-04-26
公開日2018-09-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Adaptation of the bound intrinsically disordered protein YAP to mutations at the YAP:TEAD interface.
Protein Sci., 27, 2018

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件を2024-08-28に公開中

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