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4GPX
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BU of 4gpx by Molmil
Crystal structure of the protozoal cytoplasmic ribosomal decoding site in complex with 6'-hydroxysisomicin (P212121 form)
分子名称: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*GP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3')
著者Kondo, J, Koganei, M, Maianti, J.P, Ly, V.L, Hanessian, S.
登録日2012-08-22
公開日2013-04-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of a bioactive 6'-hydroxy variant of sisomicin bound to the bacterial and protozoal ribosomal decoding sites
Chemmedchem, 8, 2013
4Y5Y
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BU of 4y5y by Molmil
Diabody 330 complex with EpoR
分子名称: Erythropoietin receptor, GLYCEROL, diabody 330 VH domain, ...
著者Moraga, I, Guo, F, Ozkan, E, Jude, K.M, Garcia, K.C.
登録日2015-02-12
公開日2015-03-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Tuning Cytokine Receptor Signaling by Re-orienting Dimer Geometry with Surrogate Ligands.
Cell, 160, 2015
6T9D
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BU of 6t9d by Molmil
Crystal structure of a bispecific DutaFab in complex with human VEGF121
分子名称: VP mat DutaFab VH chain, VP mat DutaFab VL chain, Vascular endothelial growth factor A
著者Kimbung, R, Logan, D.T, Beckmann, R, Jensen, K, Speck, J, Fenn, S, Kettenberger, H.
登録日2019-10-28
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.905 Å)
主引用文献DutaFabs are engineered therapeutic Fab fragments that can bind two targets simultaneously.
Nat Commun, 12, 2021
6THM
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BU of 6thm by Molmil
Linalool Dehydratase Isomerase M125A mutant
分子名称: 1,2-ETHANEDIOL, Linalool dehydratase-isomerase protein LDI, MALONATE ION
著者Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G.
登録日2019-11-20
公開日2020-10-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Acs Catalysis, 2020
6TF6
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BU of 6tf6 by Molmil
Human galectin-3c in complex with a galactose derivative
分子名称: CHLORIDE ION, Galectin-3, ~{N}-[[(2~{S},3~{S},4~{R},5~{S},6~{R})-4-[[5,6-bis(fluoranyl)-2-oxidanylidene-chromen-3-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]methyl]-4-fluoranyl-naphthalene-1-carboxamide
著者Nilsson, U.J, Zetterberg, F, Hakansson, M, Logan, D.T.
登録日2019-11-13
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献3-Substituted 1-Naphthamidomethyl-C-galactosyls Interact with Two Unique Sub-sites for High-Affinity and High-Selectivity Inhibition of Galectin-3.
Molecules, 24, 2019
6GVC
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BU of 6gvc by Molmil
Structure of ArhGAP12 bound to G-Actin
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
著者Mouilleron, S, Treisman, R, Diring, J.
登録日2018-06-20
公開日2019-03-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献RPEL-family rhoGAPs link Rac/Cdc42 GTP loading to G-actin availability.
Nat.Cell Biol., 21, 2019
4P3U
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BU of 4p3u by Molmil
Crystal structure of the bacterial A1408U-mutant ribosomal decoding site (C2 form 1)
分子名称: 5'-R(*UP*UP*GP*CP*GP*UP*CP*UP*CP*GP*(5BU)P*CP*GP*AP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3'
著者Kondo, J, Koganei, M.
登録日2014-03-10
公開日2016-05-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of the bacterial A1408U-mutant ribosomal decoding site (C2 form 1)
To Be Published
6S4G
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BU of 6s4g by Molmil
Crystal structure of the omega transaminase from Chromobacterium violaceum in complex with PMP
分子名称: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Ruggieri, F, Campillo Brocal, J.C, Humble, M.S, Walse, B, Logan, D.T, Berglund, P.
登録日2019-06-27
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Insight into the dimer dissociation process of the Chromobacterium violaceum (S)-selective amine transaminase.
Sci Rep, 9, 2019
4PJ2
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BU of 4pj2 by Molmil
Crystal structure of Aeromonas hydrophila PliI in complex with Meretrix lusoria lysozyme
分子名称: GLYCEROL, Lysozyme, MAGNESIUM ION, ...
著者Leysen, S, Van Herreweghe, J.M, Yoneda, K, Ogata, M, Usui, T, Michiels, C.W, Araki, T, Strelkov, S.V.
登録日2014-05-10
公開日2015-02-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献The structure of the proteinaceous inhibitor PliI from Aeromonas hydrophila in complex with its target lysozyme.
Acta Crystallogr.,Sect.D, 71, 2015
6HGJ
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BU of 6hgj by Molmil
Crystal structure of Alpha1-antichymotrypsin variant NewBG-III: a new binding globulin in complex with aldosterone
分子名称: 1,2-ETHANEDIOL, ALDOSTERONE, Alpha-1-antichymotrypsin
著者Schmidt, K, Muller, Y.A.
登録日2018-08-23
公開日2019-05-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.825 Å)
主引用文献NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy.
J.Struct.Biol., 207, 2019
6T9H
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BU of 6t9h by Molmil
C171S mutant of Linalool Dehydratase Isomerase
分子名称: Linalool dehydratase-isomerase protein LDI
著者Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G.
登録日2019-10-28
公開日2020-10-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Acs Catalysis, 2020
8OF7
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BU of 8of7 by Molmil
Cyc15 Diels Alderase
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Back, C.R, Barringer, R.W.L, Zorn, K, Manzo-Ruiz, M, Race, P.R.
登録日2023-03-14
公開日2023-06-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Interrogation of an Enzyme Library Reveals the Catalytic Plasticity of Naturally Evolved [4+2] Cyclases.
Chembiochem, 24, 2023
6T9E
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BU of 6t9e by Molmil
Crystal structure of a bispecific DutaFab in complex with human PDGF
分子名称: DutaFab mat VH chain, DutaFab mat VL chain, Platelet-derived growth factor subunit B
著者Kimbung, R, Logan, D.T, Beckmann, R, Jensen, K, Speck, J, Fenn, S, Kettenberger, H.
登録日2019-10-28
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.989 Å)
主引用文献DutaFabs are engineered therapeutic Fab fragments that can bind two targets simultaneously.
Nat Commun, 12, 2021
6JTB
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BU of 6jtb by Molmil
Crystal structure of dipeptidyl peptidase 11 (DPP11) with citrate from Porphyromonas gingivalis (Space)
分子名称: Asp/Glu-specific dipeptidyl-peptidase, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Sakamoto, Y, Suzuki, Y, Iizuka, I, Roppongi, S, Kushibiki, C, Nakamura, A, Ogasawara, W, Tanaka, N.
登録日2019-04-10
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Fragment-based discovery of the first nonpeptidyl inhibitor of an S46 family peptidase.
Sci Rep, 9, 2019
4WYI
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BU of 4wyi by Molmil
The crystal structure of Arabidopsis thaliana galactolipid synthase, MGD1 (apo-form)
分子名称: Monogalactosyldiacylglycerol synthase 1, chloroplastic
著者Rocha, J, Breton, C.
登録日2014-11-17
公開日2016-02-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights and membrane binding properties of MGD1, the major galactolipid synthase in plants.
Plant J., 85, 2016
6TFN
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BU of 6tfn by Molmil
Linalool Dehydratase Isomerase in complex with Myrcene
分子名称: 7-methyl-3-methylidene-oct-1-ene, Linalool dehydratase-isomerase protein LDI
著者Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G.
登録日2019-11-14
公開日2020-10-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Acs Catalysis, 2020
6H7P
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BU of 6h7p by Molmil
Reductive Aminase from Aspergillus terreus in complex with NADPH4, cyclohexanone and allyl amine
分子名称: CYCLOHEXANONE, Reductive Aminase, [[(2~{R},3~{S},4~{R},5~{R})-5-[(3~{R})-3-aminocarbonylpiperidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate, ...
著者Sharma, M, Grogan, G, Mangas-Sanchez, J, Turner, N.J.
登録日2018-07-31
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure of Reductive Aminase from Aspergillus terreus
Acs Catalysis, 2018
6RZG
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BU of 6rzg by Molmil
Galectin-3C in complex with meta-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative
分子名称: (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-06-13
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.015 Å)
主引用文献Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C.
Jacs Au, 1, 2021
6RS4
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BU of 6rs4 by Molmil
Structure of tabersonine synthase - an alpha-beta hydrolase from Catharanthus roseus
分子名称: 1,2-ETHANEDIOL, Tabersonine synthase
著者Caputi, L, Franke, J, Bussey, K, Farrow, S.C, Curcino Vieira, I.J, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E.
登録日2019-05-21
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Nat.Chem.Biol., 16, 2020
4PBU
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BU of 4pbu by Molmil
Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
著者Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
登録日2014-04-13
公開日2014-07-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (5 Å)
主引用文献Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
6RYZ
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BU of 6ryz by Molmil
SalL with S-adenosyl methionine
分子名称: 1,2-ETHANEDIOL, Adenosyl-chloride synthase, CHLORIDE ION, ...
著者McKean, I, Frese, A, Cuetos, A, Burley, G, Grogan, G.
登録日2019-06-12
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献S-Adenosyl Methionine Cofactor Modifications Enhance the Biocatalytic Repertoire of Small Molecule C-Alkylation.
Angew.Chem.Int.Ed.Engl., 58, 2019
6RZF
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BU of 6rzf by Molmil
Galectin-3C in complex with ortho-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative
分子名称: (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-06-13
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.016 Å)
主引用文献Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C.
Jacs Au, 1, 2021
6I07
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BU of 6i07 by Molmil
Crystal structure of EpCAM in complex with scFv
分子名称: Epithelial cell adhesion molecule, GLYCEROL, Single chain Fv
著者Casaletto, J.B, Geddie, M.L, Abu-Yousif, A.O, Masson, K, Fulgham, A, Boudot, A, Maiwald, T, Kearns, J.D, Kohli, N, Su, S, Razlog, M, Raue, A, Kalra, A, Hakansson, M, Logan, D.T, Welin, M, Chattopadhyay, S, Harms, B.D, Nielsen, U.B, Schoeberl, B, Lugovskoy, A.A, MacBeath, G.
登録日2018-10-25
公開日2019-03-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献MM-131, a bispecific anti-Met/EpCAM mAb, inhibits HGF-dependent and HGF-independent Met signaling through concurrent binding to EpCAM.
Proc.Natl.Acad.Sci.USA, 116, 2019
6HGF
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Crystal structure of Alpha1-antichymotrypsin variant NewBG-II: a new binding globulin in complex with cortisol
分子名称: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin
著者Schmidt, K, Muller, Y.A.
登録日2018-08-23
公開日2019-05-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy.
J.Struct.Biol., 207, 2019
6HGH
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BU of 6hgh by Molmil
Crystal structure of Alpha1-antichymotrypsin variant NewBG-III: a new binding globulin without any bound ligand
分子名称: Alpha-1-antichymotrypsin, MALONIC ACID, alpha1-Antichymotrypsin
著者Schmidt, K, Muller, Y.A.
登録日2018-08-23
公開日2019-05-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy.
J.Struct.Biol., 207, 2019

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