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6IBS
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BU of 6ibs by Molmil
Crystal structure of NDM-1 beta-lactamase in complex with boronic inhibitor cpd 6
分子名称: CALCIUM ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L.
登録日2018-11-30
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
1NJK
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BU of 1njk by Molmil
Crystal Structure of YbaW Probable Thioesterase from Escherichia coli
分子名称: Hypothetical protein ybaW, IODIDE ION
著者Kim, Y, Joachimiak, A, Edwards, A, Xu, X, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2002-12-31
公開日2003-07-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Escherichia coli Hypothetical Protein YbaW
To be Published
5LAE
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BU of 5lae by Molmil
Crystal structure of murine N1-acetylpolyamine oxidase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Peroxisomal N(1)-acetyl-spermine/spermidine oxidase,Peroxisomal N(1)-acetyl-spermine/spermidine oxidase
著者Sjogren, T, Aagaard, A, Snijder, A, Barlind, L.
登録日2016-06-14
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Structure of Murine N(1)-Acetylspermine Oxidase Reveals Molecular Details of Vertebrate Polyamine Catabolism.
Biochemistry, 56, 2017
6R7X
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BU of 6r7x by Molmil
CryoEM structure of calcium-bound human TMEM16K / Anoctamin 10 in detergent (2mM Ca2+, closed form)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Anoctamin-10, CALCIUM ION, ...
著者Pike, A.C.W, Bushell, S.R, Shintre, C.A, Tessitore, A, Baronina, A, Chu, A, Mukhopadhyay, S, Shrestha, L, Chalk, R, Burgess-Brown, N.A, Love, J, Huiskonen, J.T, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2019-03-29
公開日2019-05-01
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K.
Nat Commun, 10, 2019
4ZAR
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BU of 4zar by Molmil
Crystal Structure of Proteinase K from Engyodontium albuminhibited by METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE at 1.15 A resolution
分子名称: CALCIUM ION, METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE, bound form, ...
著者Sawaya, M.R, Cascio, D, Collazo, M, Bond, C, Cohen, A, DeNicola, A, Eden, K, Jain, K, Leung, C, Lubock, N, McCormick, J, Rosinski, J, Spiegelman, L, Athar, Y, Tibrewal, N, Winter, J, Solomon, S.
登録日2015-04-14
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystal Structure of Proteinase K from Engyodontium album inhibited by METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE at 1.15 A resolution
to be published
7MWX
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BU of 7mwx by Molmil
Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2 with tamarin CD81
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy Chain, ...
著者Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J.
登録日2021-05-17
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Structural insights into hepatitis C virus receptor binding and entry.
Nature, 598, 2021
7MWS
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BU of 7mws by Molmil
Crystal structure of tamarin CD81 large extracellular loop
分子名称: CD81 protein, GLYCEROL, TETRAETHYLENE GLYCOL
著者Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J.
登録日2021-05-17
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into hepatitis C virus receptor binding and entry.
Nature, 598, 2021
6I70
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BU of 6i70 by Molmil
Structure of Fragaria ananassa O-methyltransferase - apo form
分子名称: NITRATE ION, O-methyltransferase
著者Heldner, A, Schiefner, A.
登録日2018-11-15
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into enzymatic formation of the strawberry flavor compound 2,5-dimethyl-4-methoxy-3(2H)-furanone
To Be Published
7MWW
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BU of 7mww by Molmil
Structure of hepatitis C virus envelope full-length glycoprotein 2 (eE2) from J6 genotype
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy chain, ...
著者Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J.
登録日2021-05-17
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural insights into hepatitis C virus receptor binding and entry.
Nature, 598, 2021
5X8X
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BU of 5x8x by Molmil
Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With Compound A.
分子名称: (3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2
著者Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T.
登録日2017-03-03
公開日2017-06-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
6IBE
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BU of 6ibe by Molmil
The FERM domain of Human EPB41L3
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Band 4.1-like protein 3
著者Bradshaw, W.J, Katis, V.L, Newman, J.A, Fernandez-Cid, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2018-11-29
公開日2018-12-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The FERM domain of Human EPB41L3
To Be Published
2MAI
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BU of 2mai by Molmil
NMR structure of lassomycin
分子名称: Lassomycin
著者Gavrish, E, Sit, C.S, Kandror, O, Spoering, A, Peoples, A, Ling, L, Fetterman, A, Hughes, D, Cao, S, Bissell, A, Torrey, H, Akopian, T, Mueller, A, Epstein, S, Goldberg, A, Clardy, J, Lewis, K.
登録日2013-07-09
公開日2014-05-07
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Lassomycin, a Ribosomally Synthesized Cyclic Peptide, Kills Mycobacterium tuberculosis by Targeting the ATP-Dependent Protease ClpC1P1P2.
Chem.Biol., 21, 2014
2Y68
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BU of 2y68 by Molmil
Structure-based design of a new series of D-glutamic acid-based inhibitors of bacterial MurD ligase
分子名称: 2-[[2-fluoro-5-[[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid, AZIDE ION, CHLORIDE ION, ...
著者Tomasic, T, Zidar, N, Sink, R, Kovac, A, Patin, D, Blanot, D, Contreras-Martel, C, Dessen, A, Muller-Premru, M, Zega, A, Gobec, S, Peterlin-Masic, L, Kikelj, D.
登録日2011-01-20
公開日2011-06-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structure-based design of a new series of D-glutamic acid based inhibitors of bacterial UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase (MurD).
J. Med. Chem., 54, 2011
6I71
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BU of 6i71 by Molmil
Structure of Fragaria ananassa O-methyltransferase in complex with S-adenosylhomocysteine
分子名称: 1,2-ETHANEDIOL, O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Heldner, A, Schiefner, A.
登録日2018-11-15
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural insights into enzymatic formation of the strawberry flavor compound 2,5-dimethyl-4-methoxy-3(2H)-furanone
To Be Published
4PWL
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BU of 4pwl by Molmil
Crystal structure of the complex between PPARgamma-LBD and the S enantiomer of Mbx-102 (Metaglidasen)
分子名称: (2S)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Lavecchia, A, Piemontese, L.
登録日2014-03-20
公開日2015-02-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献On the metabolically active form of metaglidasen: improved synthesis and investigation of its peculiar activity on peroxisome proliferator-activated receptors and skeletal muscles.
Chemmedchem, 10, 2015
3VHB
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BU of 3vhb by Molmil
IMIDAZOLE ADDUCT OF THE BACTERIAL HEMOGLOBIN FROM VITREOSCILLA SP.
分子名称: IMIDAZOLE, PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE
著者Bolognesi, M, Boffi, A, Coletta, M, Mozzarelli, A, Pesce, A, Tarricone, C, Ascenzi, P.
登録日1999-03-17
公開日1999-08-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Anticooperative ligand binding properties of recombinant ferric Vitreoscilla homodimeric hemoglobin: a thermodynamic, kinetic and X-ray crystallographic study.
J.Mol.Biol., 291, 1999
7Z7E
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BU of 7z7e by Molmil
Crystal structure of p63 DNA binding domain in complex with inhibitory DARPin G4
分子名称: DARPIN, Isoform 4 of Tumor protein 63, ZINC ION
著者Strubel, A, Gebel, J, Chaikuad, A, Muenick, P, Doetsch, V.
登録日2022-03-15
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Designed Ankyrin Repeat Proteins as a tool box for analyzing p63.
Cell Death Differ., 29, 2022
6UIY
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BU of 6uiy by Molmil
Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases
分子名称: ACETATE ION, Streptavidin, {5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)pentanamide}iron(2+)
著者Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S.
登録日2019-10-01
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases.
Inorg.Chem., 59, 2020
7Z71
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BU of 7z71 by Molmil
Crystal structure of p63 DBD in complex with darpin C14
分子名称: Darpin C14, Isoform 4 of Tumor protein 63, ZINC ION
著者Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-03-14
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Designed Ankyrin Repeat Proteins as a tool box for analyzing p63.
Cell Death Differ., 29, 2022
2Z4U
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BU of 2z4u by Molmil
Crystal structure of wild type PD-L4 from Phytolacca dioica leaves
分子名称: 1,2-ETHANEDIOL, Ribosome-inactivating protein PD-L4
著者Ruggiero, A, Berisio, R.
登録日2007-06-26
公開日2008-02-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic resolution (1.1 A) structure of the ribosome-inactivating protein PD-L4 from Phytolacca dioica L. leaves
Proteins, 71, 2008
7Z73
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BU of 7z73 by Molmil
Crystal structure of p63 tetramerization domain in complex with darpin 8F1
分子名称: Darpin 8F1, Isoform 2 of Tumor protein 63
著者Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-03-14
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Designed Ankyrin Repeat Proteins as a tool box for analyzing p63.
Cell Death Differ., 29, 2022
6ER5
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BU of 6er5 by Molmil
X-ray structure of Trypanothione Reductase from Leishmania infantum in complex with 2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate
分子名称: 2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
著者Ilari, A, Fiorillo, A.
登録日2017-10-17
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Identification and binding mode of a novel Leishmania Trypanothione reductase inhibitor from high throughput screening.
Plos Negl Trop Dis, 12, 2018
6I9Q
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BU of 6i9q by Molmil
Structure of the mouse CD98 heavy chain ectodomain
分子名称: 1,2-ETHANEDIOL, 4F2 cell-surface antigen heavy chain, CHLORIDE ION
著者Schiefner, A, Deuschle, F.-C, Skerra, A.
登録日2018-11-24
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural differences between the ectodomains of murine and human CD98hc.
Proteins, 87, 2019
6IC5
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BU of 6ic5 by Molmil
Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 2
分子名称: (2~{S})-2-azanyl-~{N}-[(1~{R},2~{R})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J.
登録日2018-12-02
公開日2019-04-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
7M7C
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Crystal Structure of Hip1 (Rv2224c) mutant - T466A/S228DHA (dehydroalanine)
分子名称: Carboxylesterase A
著者Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D.
登録日2021-03-27
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibitors and Inactivators of Mycobacterium tuberculosis serine protease Hip1 (Rv2224c)
To Be Published

222415

件を2024-07-10に公開中

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