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3EUV
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BU of 3euv by Molmil
Crystal structure of FTase(ALPHA-subunit; BETA-subunit DELTA C10, W102T, Y154T) in complex with BiotinGPP
分子名称: (2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate, Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ...
著者Guo, Z, Nguyen, U.T.T, Delon, C, Bon, R.S, Blankenfeldt, W, Goody, R.S, Waldmann, H, Wolters, D, Alexandrov, K.
登録日2008-10-11
公開日2009-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Analysis of the eukaryotic prenylome by isoprenoid affinity tagging
Nat.Chem.Biol., 5, 2009
6D6L
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BU of 6d6l by Molmil
The structure of ligand binding domain of LasR in complex with TP-1 homolog, compound 14
分子名称: 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-chlorobenzoate, Transcriptional activator protein LasR
著者Dong, S.H, Nair, S.K.
登録日2018-04-21
公開日2018-08-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural and Biochemical Studies of Non-native Agonists of the LasR Quorum-Sensing Receptor Reveal an L3 Loop "Out" Conformation for LasR.
Cell Chem Biol, 25, 2018
6QQP
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BU of 6qqp by Molmil
Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (2)
分子名称: 1,2-ETHANEDIOL, 2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bueno, R.V, Davis, S, Dawson, A, Hunter, W.N.
登録日2019-02-18
公開日2020-03-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors
Acta Crystallogr.,Sect.D, 78, 2022
2V3Q
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BU of 2v3q by Molmil
Serendipitous discovery and X-ray structure of a human phosphate binding apolipoprotein
分子名称: 1,2-ETHANEDIOL, GLYCEROL, HUMAN PHOSPHATE BINDING PROTEIN, ...
著者Morales, R, Berna, A, Carpentier, P, Elias, M, Contreras-Martel, C, Renault, F, Nicodeme, M, Chesne-Seck, M.-L, Bernier, F, Dupuy, J, Schaeffer, C, Diemer, H, Van Dorsselaer, A, Fontecilla, J.C, Masson, P, Rochu, D, Chabriere, E.
登録日2007-06-20
公開日2008-07-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Tandem Use of X-Ray Crystallography and Mass Spectrometry to Obtain Ab Initio the Complete and Exact Amino Acids Sequence of Hpbp, a Human 38kDa Apolipoprotein
Proteins: Struct., Funct., Bioinf., 71, 2008
1NA1
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BU of 1na1 by Molmil
The structure of HRV14 when complexed with Pleconaril
分子名称: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE, Coat protein VP1, Coat protein VP2, ...
著者Zhang, Y, Simpson, A.A, Bator, C.M, Chakravarty, S, Pevear, D.C, Skochko, G.A, Tull, T.M, Diana, G, Rossmann, M.G.
登録日2002-11-26
公開日2003-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural and virological studies of the stages of virus replication that are affected by antirhinovirus compounds
J.Virol., 78, 2004
7MXS
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BU of 7mxs by Molmil
Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' recessed-end DNA (cr)
分子名称: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ...
著者Shi, Y, Beese, L.S.
登録日2021-05-19
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.798 Å)
主引用文献Structures of reaction intermediates reveal transient Mg2+-binding events that dynamically coordinate Human Exonuclease I activities
To Be Published
6WM3
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BU of 6wm3 by Molmil
Human V-ATPase in state 2 with SidK and ADP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Renin receptor, ...
著者Wang, L, Wu, H, Fu, T.M.
登録日2020-04-20
公開日2020-11-11
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of a Complete Human V-ATPase Reveal Mechanisms of Its Assembly.
Mol.Cell, 80, 2020
7MXV
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BU of 7mxv by Molmil
Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' recessed-end DNA (ur)
分子名称: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ...
著者Shi, Y, Beese, L.S.
登録日2021-05-19
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.211 Å)
主引用文献Structures of reaction intermediates reveal transient Mg2+-binding events that dynamically coordinate Human Exonuclease I activities
To Be Published
7VKG
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BU of 7vkg by Molmil
Crystal structure of AF9 YEATS domain in complex with Compound 10
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Protein AF-9, ...
著者Liu, Y, Ruan, K.
登録日2021-09-29
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
7VPY
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BU of 7vpy by Molmil
Crystal structure of the neutralizing nanobody P86 against SARS-CoV-2
分子名称: 1,2-ETHANEDIOL, Nanobody, SULFATE ION
著者Maeda, R, Fujita, J, Konishi, Y, Kazuma, Y, Yamazaki, H, Anzai, I, Yamaguchi, K, Kasai, K, Nagata, K, Yamaoka, Y, Miyakawa, K, Ryo, A, Shirakawa, K, Makino, F, Matsuura, Y, Inoue, T, Imura, A, Namba, K, Takaori-Kondo, A.
登録日2021-10-18
公開日2022-07-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A panel of nanobodies recognizing conserved hidden clefts of all SARS-CoV-2 spike variants including Omicron.
Commun Biol, 5, 2022
7MXW
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BU of 7mxw by Molmil
Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' flap DNA (uf1)
分子名称: CALCIUM ION, DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*AP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), ...
著者Shi, Y, Beese, L.S.
登録日2021-05-19
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.836 Å)
主引用文献Structures of reaction intermediates reveal transient Mg2+-binding events that dynamically coordinate Human Exonuclease I activities
To Be Published
6HR1
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BU of 6hr1 by Molmil
Crystal structure of the YFPnano fusion protein
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Benoit, R.M.
登録日2018-09-26
公開日2020-04-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Chimeric single alpha-helical domains as rigid fusion protein connections for protein nanotechnology and structural biology.
Structure, 2021
9KBN
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BU of 9kbn by Molmil
Crystal structure of T2R-TTL-IKP104-Colchicine
分子名称: 1-(2-chloranyl-3,5-dimethoxy-phenyl)-2-(4-fluorophenyl)-3-methyl-6-phenyl-pyridin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Yan, W, Yang, J.H.
登録日2024-10-31
公開日2025-11-05
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Crystal structure of T2R-TTL-IKP104-Colchicine
To Be Published
8RUE
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BU of 8rue by Molmil
Crystal structure of Rhizobium etli L-asparaginase ReAV H139A mutant
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Pokrywka, K, Grzechowiak, M, Sliwiak, J, Worsztynowicz, P, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M.
登録日2024-01-30
公開日2024-04-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Probing the active site of Class 3 L-asparaginase by mutagenesis. I. Tinkering with the zinc coordination site of ReAV.
Front Chem, 12, 2024
4YZ3
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BU of 4yz3 by Molmil
Crystal Structure of Streptococcus pneumoniae NanC, in complex with Oseltamivir.
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase, SULFATE ION
著者Lukacik, P, Owen, C.D, Potter, J.A, Taylor, G.L, Walsh, M.A.
登録日2015-03-24
公開日2016-04-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Crystal Structure of Streptococcus pneumoniae NanC.
To Be Published
7NED
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BU of 7ned by Molmil
Thiourocanate hydratase from Paenibacillus sp. Soil724D2 in complex with cofactor NAD+ and urocanate
分子名称: (2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACID, 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Leisinger, F, Seebeck, F.P.
登録日2021-02-03
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献In Vitro Reconstitution of a Five-Step Pathway for Bacterial Ergothioneine Catabolism.
Acs Chem.Biol., 16, 2021
6EWA
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BU of 6ewa by Molmil
Crystal structure of HLA-A2 in complex with LILRB1
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
著者Stones, D.H, Willcox, B.E, Mohammed, F.
登録日2017-11-03
公開日2018-11-07
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Application of the immunoregulatory receptor LILRB1 as a crystallisation chaperone for human class I MHC complexes.
J. Immunol. Methods, 464, 2019
3GKZ
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BU of 3gkz by Molmil
Crystal structures of a therapeutic single chain antibody in complex methamphetamine
分子名称: (2S)-N-methyl-1-phenylpropan-2-amine, anti-methamphetamine single chain Fv
著者Celikel, R, Peterson, E.C, Owens, M, Varughese, K.I.
登録日2009-03-11
公開日2009-10-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of a therapeutic single chain antibody in complex with two drugs of abuse-Methamphetamine and 3,4-methylenedioxymethamphetamine.
Protein Sci., 18, 2009
6QOV
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BU of 6qov by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 25 (6-Phenyl-3-pyridinyl)methylamine)
分子名称: (6-phenylpyridin-3-yl)methanamine, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-12
公開日2020-02-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
8INY
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BU of 8iny by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant in Complex with Inhibitor ensitrelvir
分子名称: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Lin, M, Liu, X.
登録日2023-03-10
公開日2024-03-13
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Molecular mechanism of ensitrelvir inhibiting SARS-CoV-2 main protease and its variants.
Commun Biol, 6, 2023
8DDB
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BU of 8ddb by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinic acid
分子名称: 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ...
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-06-17
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
9AYS
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BU of 9ays by Molmil
HIV BG505.v5.2 (N289/N241) SOSIP Env in Complex with V5, gp120-Interface, and Anti-Immune Complex pAbs from Rh.33203
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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Brown, S, Antansijevic, A, Ward, A.B.
登録日2024-03-08
公開日2025-01-29
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Anti-immune complex antibodies are elicited during repeated immunization with HIV Env immunogens.
Sci Immunol, 10, 2025
6KF1
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BU of 6kf1 by Molmil
Microbial Hormone-sensitive lipase- E53 mutant S162A
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HEXANOIC ACID, ...
著者Xiaochen, Y, Zhengyang, L, Xuewei, X, Jixi, L.
登録日2019-07-05
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Functional and Structural Insights into Environmental Adaptation of a Novel Hormone-sensitive Lipase, E53, Obtained from Erythrobacter longus
To Be Published
9FOC
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BU of 9foc by Molmil
Crystal structure of the PWWP1 domain of NSD2 bound by compound 11.
分子名称: (2S)-1-[4-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide, (2S)-1-[4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide, Histone-lysine N-methyltransferase NSD2
著者Collie, G.W.
登録日2024-06-11
公開日2025-09-03
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (1.618 Å)
主引用文献Structural and Molecular Insight into the PWWP1 Domain of NSD2 from the Discovery of Novel Binders Via DNA-Encoded Library Screening.
Acs Med.Chem.Lett., 16, 2025
8INX
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BU of 8inx by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant in Complex with Inhibitor ensitrelvir
分子名称: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Lin, M, Liu, X.
登録日2023-03-10
公開日2024-03-13
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Molecular mechanism of ensitrelvir inhibiting SARS-CoV-2 main protease and its variants.
Commun Biol, 6, 2023

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件を2025-12-03に公開中

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