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6QLQ
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Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 4
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-02-01
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.079 Å)
主引用文献Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
6QLR
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Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 5
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-02-01
公開日2019-07-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
5FCT
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BU of 5fct by Molmil
Mouse thymidylate synthase in ternary complex with FdUMP and methylenetetrahydrofolate.
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Thymidylate synthase
著者Dowiercial, A, Wilk, P, Jarmula, A, Rode, W.
登録日2015-12-15
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme
Struct Chem, 2016
6QLP
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BU of 6qlp by Molmil
Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 3
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, Galectin-3, ...
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-02-01
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.081 Å)
主引用文献Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
6QLU
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BU of 6qlu by Molmil
Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative-8
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluoranyl-3-methyl-phenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-02-01
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
1L19
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BU of 1l19 by Molmil
ENHANCED PROTEIN THERMOSTABILITY FROM DESIGNED MUTATIONS THAT INTERACT WITH ALPHA-HELIX DIPOLES
分子名称: T4 LYSOZYME
著者Nicholson, H, Matthews, B.W.
登録日1989-05-01
公開日1990-01-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Enhanced protein thermostability from designed mutations that interact with alpha-helix dipoles.
Nature, 336, 1988
8OZ3
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BU of 8oz3 by Molmil
Crystal structure of scFv ATOR 1017 bound to human 4-1BB
分子名称: Single chain Fv, Tumor necrosis factor receptor superfamily member 9
著者Hakansson, M, Von Schantz, L, Rose, N.
登録日2023-05-08
公開日2024-03-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献ATOR-1017 (evunzekibart), an Fc-gamma receptor conditional 4-1BB agonist designed for optimal safety and efficacy, activates exhausted T cells in combination with anti-PD-1.
Cancer Immunol.Immunother., 72, 2023
6BS4
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BU of 6bs4 by Molmil
Crystal structure of ATPgammaS-bound bacterial Get3-like A and B in Mycobacterium tuberculosis
分子名称: ADENOSINE-5'-DIPHOSPHATE, Anion transporter, MAGNESIUM ION, ...
著者Li, H, Hu, K, Kovach, A.
登録日2017-12-01
公開日2019-05-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Characterization of Guided Entry of Tail-Anchored Proteins 3 Homologues in Mycobacterium tuberculosis.
J.Bacteriol., 201, 2019
5EE9
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BU of 5ee9 by Molmil
Complex structure of OSYCHF1 with GMP-PNP
分子名称: GLYCEROL, MAGNESIUM ION, Obg-like ATPase 1, ...
著者Li, X, Chen, Z.
登録日2015-10-22
公開日2016-02-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献ATP binding by the P-loop NTPase OsYchF1 (an unconventional G protein) contributes to biotic but not abiotic stress responses
Proc.Natl.Acad.Sci.USA, 113, 2016
6QLN
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BU of 6qln by Molmil
Galectin-3C in complex with fluoroaryl triazole monothiogalactoside derivative 2
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-02-01
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
6QLS
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BU of 6qls by Molmil
Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 6
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol, CHLORIDE ION, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-02-01
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.047 Å)
主引用文献Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
5EE3
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BU of 5ee3 by Molmil
COMPLEX STRUCTURE OF OSYCHF1 WITH AMP-PNP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Li, X, Chen, Z.
登録日2015-10-22
公開日2016-02-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献ATP binding by the P-loop NTPase OsYchF1 (an unconventional G protein) contributes to biotic but not abiotic stress responses
Proc.Natl.Acad.Sci.USA, 113, 2016
1L20
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BU of 1l20 by Molmil
ENHANCED PROTEIN THERMOSTABILITY FROM DESIGNED MUTATIONS THAT INTERACT WITH ALPHA-HELIX DIPOLES
分子名称: T4 LYSOZYME
著者Nicholson, H, Matthews, B.W.
登録日1989-05-01
公開日1990-01-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Enhanced protein thermostability from designed mutations that interact with alpha-helix dipoles.
Nature, 336, 1988
3QGH
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BU of 3qgh by Molmil
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase genotype 1a complex with N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide
分子名称: N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase
著者Sheriff, S.
登録日2011-01-24
公開日2011-04-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 21, 2011
3QGI
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BU of 3qgi by Molmil
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase genotype 1a complex with N-[(2S)-butan-2-yl]-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide
分子名称: GLYCEROL, N-[(2S)-butan-2-yl]-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide, RNA-directed RNA polymerase
著者Sheriff, S.
登録日2011-01-24
公開日2011-04-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 21, 2011
5A76
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BU of 5a76 by Molmil
KSHV LANA (ORF73) C-terminal domain, open non-ring conformation: orthorhombic crystal form
分子名称: MAGNESIUM ION, ORF 73
著者Ponnusamy, R, Mcvey, C.E.
登録日2015-07-02
公開日2015-10-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Kshv But not Mhv-68 Lana Induces a Strong Bend Upon Binding to Terminal Repeat Viral DNA.
Nucleic Acids Res., 43, 2015
5LFG
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BU of 5lfg by Molmil
X-ray structure of a new fully ligated carbomonoxy form of Trematomus newnesi hemoglobin (Hb1TnCO).
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, ...
著者Vitagliano, L, Mazzarella, L, Merlino, A, Vergara, A.
登録日2016-07-01
公開日2017-08-09
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Fine Sampling of the RT Quaternary-Structure Transition of a Tetrameric Hemoglobin.
Chemistry, 23, 2017
4R05
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BU of 4r05 by Molmil
Crystal structure of the refolded DENV3 methyltransferase
分子名称: Nonstructural protein NS5
著者Brecher, M.B, Li, Z, Zhang, J, Chen, H, Lin, Q, Liu, B, Li, H.M.
登録日2014-07-29
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Refolding of a fully functional flavivirus methyltransferase revealed that S-adenosyl methionine but not S-adenosyl homocysteine is copurified with flavivirus methyltransferase.
Protein Sci., 24, 2015
6ZWM
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BU of 6zwm by Molmil
cryo-EM structure of human mTOR complex 2, overall refinement
分子名称: ACETYL GROUP, INOSITOL HEXAKISPHOSPHATE, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Scaiola, A, Mangia, F, Imseng, S, Boehringer, D, Ban, N, Maier, T.
登録日2020-07-28
公開日2020-11-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The 3.2- angstrom resolution structure of human mTORC2.
Sci Adv, 6, 2020
7A63
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BU of 7a63 by Molmil
Crystal structure of L1 with hydrolyzed faropenem (imine, ring-closed form)
分子名称: (2R,5S)-2-[(1S,2R)-1-carboxy-2-hydroxy-propyl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydrothiazole-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-24
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.57000113 Å)
主引用文献Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
6ZWO
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BU of 6zwo by Molmil
cryo-EM structure of human mTOR complex 2, focused on one half
分子名称: ACETYL GROUP, INOSITOL HEXAKISPHOSPHATE, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Scaiola, A, Mangia, F, Imseng, S, Boehringer, D, Ban, N, Maier, T.
登録日2020-07-28
公開日2020-11-18
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The 3.2- angstrom resolution structure of human mTORC2.
Sci Adv, 6, 2020
5DDI
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BU of 5ddi by Molmil
Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from pig muscle - holo enzyme - at 2.40 Angstrom resolution
分子名称: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
著者Dimova, M, Devedjiev, Y.D.
登録日2015-08-24
公開日2016-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Novel enhancer binding site found in bacteria and eukaryota but not in archea.
To Be Published
4RKJ
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BU of 4rkj by Molmil
Crystal structure of thrombin mutant S195T (free form)
分子名称: GLYCEROL, POTASSIUM ION, Thrombin heavy chain, ...
著者Pelc, A.L, Chen, Z, Gohara, D.W, Vogt, A.D, Pozzi, N, Di Cera, E.
登録日2014-10-13
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Why ser and not thr brokers catalysis in the trypsin fold.
Biochemistry, 54, 2015
4RKO
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BU of 4rko by Molmil
Crystal structure of thrombin mutant S195T bound with PPACK
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
著者Pelc, A.L, Chen, Z, Gohara, D.W, Vogt, A.D, Pozzi, N, Di Cera, E.
登録日2014-10-13
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Why ser and not thr brokers catalysis in the trypsin fold.
Biochemistry, 54, 2015
5BK7
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BU of 5bk7 by Molmil
The structure of MppP E15A mutant soaked with the substrate L-arginine
分子名称: (E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-arginine, PLP-Dependent L-Arginine Hydroxylase MppP
著者Han, L, Silvaggi, N.R.
登録日2018-01-27
公開日2018-09-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.196 Å)
主引用文献Streptomyces wadayamensis MppP is a PLP-Dependent Oxidase, Not an Oxygenase.
Biochemistry, 57, 2018

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