6ETT
 
 | | Crystal structure of KDM4D with tetrazole compound 4 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | | 著者 | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | 登録日 | 2017-10-27 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.257 Å) | | 主引用文献 | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
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6ETV
 | | Crystal structure of KDM4D with tetrazolhydrazide compound 2 | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | 著者 | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | 登録日 | 2017-10-27 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
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6ETU
 | | Crystal structure of KDM4D with tetrazolhydrazide compound 7 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | | 著者 | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | 登録日 | 2017-10-27 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
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6ETW
 | | Crystal structure of KDM4D with tetrazolhydrazide compound 3 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | 登録日 | 2017-10-27 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
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6ETG
 | | Crystal structure of KDM4D with tetrazolhydrazide compound 6 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | | 著者 | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | 登録日 | 2017-10-26 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.279 Å) | | 主引用文献 | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
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3ZHE
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7O7B
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4E7R
 | | Thrombin in complex with 3-amidinophenylalanine inhibitor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide, GLYCEROL, ... | | 著者 | Ruehmann, E, Heine, A, Klebe, G. | | 登録日 | 2012-03-19 | | 公開日 | 2012-06-20 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | New 3-amidinophenylalanine-derived inhibitors of matriptase
MEDCHEMCOMM, 3, 2012
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6GXJ
 | | X-ray structure of DiRu-1-encapsulated Apoferritin | | 分子名称: | CADMIUM ION, CHLORIDE ION, Ferritin light chain, ... | | 著者 | Pica, A, Ferraro, G, Merlino, A. | | 登録日 | 2018-06-27 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Encapsulation of the Dinuclear Trithiolato-Bridged Arene Ruthenium Complex Diruthenium-1 in an Apoferritin Nanocage: Structure and Cytotoxicity.
ChemMedChem, 14, 2019
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8BFO
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8BGA
 | | Structure of Mpro in complex with FGA146 | | 分子名称: | 3C-like proteinase nsp5, 4-methoxy-~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide | | 著者 | Medrano, F.J, Romero, A. | | 登録日 | 2022-10-27 | | 公開日 | 2023-11-08 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.982 Å) | | 主引用文献 | Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2.
Commun Chem, 7, 2024
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5J2W
 | | Intermediate state lying on the pathway of release of Tat from HIV-1 TAR. | | 分子名称: | Apical region (29mer) of the HIV-1 TAR RNA element, Cyclic peptide mimetic of HIV-1 Tat | | 著者 | Borkar, A.N, Bardaro Jr, M.F, Varani, G, Vendruscolo, M. | | 登録日 | 2016-03-30 | | 公開日 | 2016-06-08 | | 最終更新日 | 2019-10-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of a low-population binding intermediate in protein-RNA recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
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8BGD
 | | Structure of Mpro from SARS-CoV-2 in complex with FGA147 | | 分子名称: | (phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase nsp5 | | 著者 | Medrano, F.J, Romero, A. | | 登録日 | 2022-10-27 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.621 Å) | | 主引用文献 | Peptidyl Nitroalkenes Inhibit SARS-CoV-2 Main Protease and Block Virus Replication
To Be Published
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8BFQ
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6UUS
 | | CryoEM Structure of the active Adrenomedullin 2 receptor G protein complex with adrenomedullin peptide | | 分子名称: | ADM, Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Belousoff, M.J, Liang, Y.L, Sexton, P, Danev, R. | | 登録日 | 2019-10-31 | | 公開日 | 2020-04-01 | | 最終更新日 | 2020-04-29 | | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | | 主引用文献 | Structure and Dynamics of Adrenomedullin Receptors AM1and AM2Reveal Key Mechanisms in the Control of Receptor Phenotype by Receptor Activity-Modifying Proteins.
Acs Pharmacol Transl Sci, 3, 2020
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6UVA
 | | CryoEM Structure of the active Adrenomedullin 2 receptor G protein complex with adrenomedullin 2 peptide | | 分子名称: | Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Belousoff, M.J, Liang, Y.L, Sexton, P, Danev, R. | | 登録日 | 2019-11-01 | | 公開日 | 2020-04-01 | | 最終更新日 | 2020-04-29 | | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | | 主引用文献 | Structure and Dynamics of Adrenomedullin Receptors AM1and AM2Reveal Key Mechanisms in the Control of Receptor Phenotype by Receptor Activity-Modifying Proteins.
Acs Pharmacol Transl Sci, 3, 2020
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6QHJ
 | | High-resolution crystal structure of calcium- and sodium-bound mouse Olfactomedin-1 beta-propeller domain | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | 著者 | Pronker, M.F, van den Hoek, H.G, Janssen, B.J.C. | | 登録日 | 2019-01-16 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Design and structural characterisation of olfactomedin-1 variants as tools for functional studies.
BMC Mol Cell Biol, 20, 2019
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8BXP
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8C1X
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5TKB
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 4D IN COMPLEX WITH A TETRAFLUORANLINE COMPOUND | | 分子名称: | ETHANOL, MAGNESIUM ION, N-[(2R)-2,3-dihydroxy-2-methylpropyl]-8-(methylamino)-6-[(2,3,5,6-tetrafluorophenyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide, ... | | 著者 | Sack, J.S. | | 登録日 | 2016-10-06 | | 公開日 | 2016-12-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Identification of imidazo[1,2-b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling.
Medchemcomm, 8, 2017
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6G0V
 | | Human Galectin-3 in complex with a TF tumor-associated antigen mimetic | | 分子名称: | (3~{R},5~{R},6~{S},7~{S},8~{R},13~{S})-5-(hydroxymethyl)-7-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-11-oxidanylidene-2,4-dioxa-9-thia-12-azatricyclo[8.4.0.0^{3,8}]tetradec-1(10)-ene-13-carboxylic acid, CHLORIDE ION, Galectin-3 | | 著者 | Trovao, F.G, Santarsia, S, Carvalho, A.L. | | 登録日 | 2018-03-19 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | | 主引用文献 | Molecular Recognition of a Thomsen-Friedenreich Antigen Mimetic Targeting Human Galectin-3.
ChemMedChem, 13, 2018
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8FDG
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1AU8
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9C20
 | | The Sialidase NanJ in complex with Neu5,9Ac | | 分子名称: | 1,2-ETHANEDIOL, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, exo-alpha-sialidase | | 著者 | Medley, B.J, Low, K.E, Garber, J.M, Gray, T.E, Leeann, L.L, Fordwour, O.B, Inglis, G.D, Boons, G.J, Zandberg, W.F, Abbott, W, Boraston, A. | | 登録日 | 2024-05-30 | | 公開日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.699 Å) | | 主引用文献 | NanJ sialidase in complex with Neu5,9Ac
To Be Published
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5MAE
 | | CATHEPSIN L IN COMPLEX WITH (2S,4R)-4-(2-Chloro-4-methoxy-benzenesulfonyl)-1-[3-(5-chloro-pyridin-2-yl)-azetidine-3-carbonyl]-pyrrolidine-2-car boxylic acid (1-cyano-cyclopropyl)-amide | | 分子名称: | 1,2-ETHANEDIOL, Cathepsin L1, [4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide | | 著者 | Kuglstatter, A, Stihle, M, Benz, J. | | 登録日 | 2016-11-03 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: AmideHeteroarene pi-Stacking Interactions and Chalcogen Bonding in the S3 Pocket.
ChemMedChem, 12, 2017
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