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5D3Y
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BU of 5d3y by Molmil
Crystal Structure of the P-Rex1 PH domain with Inositol-(1,3,4,5)-Tetrakisphosphate Bound
分子名称: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein
著者Cash, J.N, Tesmer, J.J.G.
登録日2015-08-06
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Biochemical Characterization of the Catalytic Core of the Metastatic Factor P-Rex1 and Its Regulation by PtdIns(3,4,5)P3.
Structure, 24, 2016
8XFD
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BU of 8xfd by Molmil
Crystal structure of pyruvate kinase tetramer in complex with allosteric activator, Mitapivat (MTPV, AG-348)
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, Isoform L-type of Pyruvate kinase PKLR, MAGNESIUM ION, ...
著者Sun, R, Achour, A.
登録日2023-12-13
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High Resolution Crystal Structure of the Pyruvate Kinase Tetramer in Complex with the Allosteric Activator Mitapivat/AG-348
Crystals, 2024
6Q6P
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BU of 6q6p by Molmil
Antarctic fish cytoglobin 1 from D.mawsoni
分子名称: Cytoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Giordano, D, Pesce, A, Vermeylen, S, Abbruzzetti, S, Nardini, M, Marchesani, F, Berghmans, H, Seira, C, Bruno, S, Luque, F.J, di Prisco, G, Ascenzi, P, Dewilde, S, Bolognesi, M, Viappiani, C, Verde, C.
登録日2018-12-11
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and functional properties of Antarctic fish cytoglobins-1: Cold-reactivity in multi-ligand reactions.
Comput Struct Biotechnol J, 18, 2020
3IBA
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BU of 3iba by Molmil
Crystal structure of the complex of Trypanosoma cruzi farnesyl diphosphate synthase with zoledronate, IPP and Mg2+
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E.
登録日2009-07-15
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer.
Proteins, 78, 2010
5HGB
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BU of 5hgb by Molmil
HLA*A2402 complexed with HIV nef138 8mer epitope
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
著者Shi, Y, Qi, J, Gao, G.F.
登録日2016-01-08
公開日2016-06-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Effects of a Single Escape Mutation on T Cell and HIV-1 Co-adaptation.
Cell Rep, 15, 2016
9ETZ
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BU of 9etz by Molmil
III2IV respiratory supercomplex from Saccharomyces cerevisiae
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL, CALCIUM ION, ...
著者Moe, A, Brzezinski, P.
登録日2024-03-27
公開日2024-10-02
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Electron transfer in the respiratory chain at low salinity.
Nat Commun, 15, 2024
5LB9
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BU of 5lb9 by Molmil
Structure of the T175V Etr1p mutant in the monoclinic form P21
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, mitochondrial, ...
著者Wagner, T, Rosenthal, R.G, Voegeli, B, Shima, S, Erb, T.J.
登録日2016-06-15
公開日2017-05-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A conserved threonine prevents self-intoxication of enoyl-thioester reductases.
Nat. Chem. Biol., 13, 2017
2VSP
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BU of 2vsp by Molmil
Crystal structure of the fourth PDZ domain of PDZ domain-containing protein 1
分子名称: PDZ DOMAIN-CONTAINING PROTEIN 1
著者Yue, W.W, Shafqat, N, Pilka, E.S, Johansson, C, Murray, J.W, Elkins, J, Roos, A, Cooper, C, Phillips, C, Salah, E, von Delft, F, Doyle, D, Edwards, A, Wikstrom, M, Arrowsmith, C, Bountra, C, Oppermann, U.
登録日2008-04-28
公開日2009-03-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Crystal Structure of the Fourth Pdz Domain of Pdz Domain-Containing Protein 1
To be Published
2VUK
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BU of 2vuk by Molmil
Structure of the p53 core domain mutant Y220C bound to the stabilizing small-molecule drug PhiKan083
分子名称: 1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine, CELLULAR TUMOR ANTIGEN P53, ZINC ION
著者Joerger, A.C, Boeckler, F.M, Fersht, A.R.
登録日2008-05-26
公開日2008-07-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Targeted Rescue of a Destabilized Mutant of P53 by an in Silico Screened Drug.
Proc.Natl.Acad.Sci.USA, 105, 2008
8B6R
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BU of 8b6r by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 labeled with a chloroalkane Cyanine3 fluorophore substrate
分子名称: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
著者Tarnawski, M, Hellweg, L, Hiblot, J.
登録日2022-09-27
公開日2023-07-26
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A general method for the development of multicolor biosensors with large dynamic ranges.
Nat.Chem.Biol., 19, 2023
6QCK
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BU of 6qck by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with FB262
分子名称: 17-beta-hydroxysteroid dehydrogenase 14, 2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid, DIMETHYL SULFOXIDE, ...
著者Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
登録日2018-12-28
公開日2020-01-29
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Mutational and structural studies uncover crucial amino acids determining activity and stability of 17 beta-HSD14.
J.Steroid Biochem.Mol.Biol., 189, 2019
5H9V
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BU of 5h9v by Molmil
Crystal structure of Regnase PIN domain, form I
分子名称: Ribonuclease ZC3H12A, SODIUM ION
著者Yokogawa, M, Tsushima, T, Adachi, W, Noda, N.N, Inagaki, F.
登録日2015-12-29
公開日2016-03-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis for the regulation of enzymatic activity of Regnase-1 by domain-domain interactions
Sci Rep, 6, 2016
3AII
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BU of 3aii by Molmil
Archaeal non-discriminating glutamyl-tRNA synthetase from Methanothermobacter thermautotrophicus
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, CALCIUM ION, ...
著者Nureki, O, Ishitani, R.
登録日2010-05-14
公開日2010-08-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of an archaeal non-discriminating glutamyl-tRNA synthetase: a missing link in the evolution of Gln-tRNAGln formation
Nucleic Acids Res., 2010
5D2H
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BU of 5d2h by Molmil
4-oxalocrotonate decarboxylase from Pseudomonas putida G7 - complexed with magnesium and alpha-ketoglutarate
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 4-oxalocrotonate decarboxylase NahK, ...
著者Guimaraes, S.L, Nagem, R.A.P.
登録日2015-08-05
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.936 Å)
主引用文献Crystal Structures of Apo and Liganded 4-Oxalocrotonate Decarboxylase Uncover a Structural Basis for the Metal-Assisted Decarboxylation of a Vinylogous beta-Keto Acid.
Biochemistry, 55, 2016
7RIK
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BU of 7rik by Molmil
Magic-Angle-Spinning NMR Structure of Kinesin-1 Motor Domain Assembled with Microtubules
分子名称: Kinesin-1 heavy chain
著者Zhang, C, Guo, C, Russell, R.W, Quinn, C.M, Li, M, Williams, J.C, Gronenborn, A.M, Polenova, T.
登録日2021-07-20
公開日2022-11-23
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Magic-angle-spinning NMR structure of the kinesin-1 motor domain assembled with microtubules reveals the elusive neck linker orientation
Nat Commun, 13, 2022
6UME
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BU of 6ume by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
分子名称: 2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide, Glutaminase kidney isoform, mitochondrial
著者Huang, Q, Cerione, R.A.
登録日2019-10-09
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00012
To Be Published
7C71
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BU of 7c71 by Molmil
Crystal structure of beta-glycosides-binding protein (E117A) of ABC transporter in an open state
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SULFITE ION, ...
著者Kanaujia, S.P, Chandravanshi, M, Samanta, R.
登録日2020-05-22
公開日2020-09-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
9HGK
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BU of 9hgk by Molmil
Crystal Structure of the Coxiella burnetii 2-methylisocitrate lyase
分子名称: 1,2-ETHANEDIOL, 2-methylisocitrate lyase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Stuart, W, Isupov, M, Harmer, N.J.
登録日2024-11-19
公開日2025-08-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and catalytic mechanism of methylisocitrate lyase, a potential drug target against Coxiella burnetii.
J.Biol.Chem., 301, 2025
6QL2
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BU of 6ql2 by Molmil
Crystal structure of chimeric carbonic anhydrase VI with ethoxzolamide.
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-ethoxy-1,3-benzothiazole-2-sulfonamide, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2019-01-31
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors.
Sci Rep, 9, 2019
6UMC
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BU of 6umc by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
分子名称: 2-phenyl-N-{5-[(3R)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial
著者Huang, Q, Cerione, R.A.
登録日2019-10-09
公開日2020-10-14
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00012
To Be Published
5HGD
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BU of 5hgd by Molmil
HLA*A2402 complexed with HIV nef138 Y2F mutant 10mer epitope
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
著者Shi, Y, Qi, J, Gao, G.F.
登録日2016-01-08
公開日2016-06-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Effects of a Single Escape Mutation on T Cell and HIV-1 Co-adaptation.
Cell Rep, 15, 2016
5NKT
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BU of 5nkt by Molmil
FimA wt from E. coli
分子名称: SULFATE ION, Type-1 fimbrial protein, A chain
著者Zyla, D, Capitani, G, Prota, A, Glockshuber, R.
登録日2017-04-03
公開日2018-05-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Alternative folding to a monomer or homopolymer is a common feature of the type 1 pilus subunit FimA from enteroinvasive bacteria.
J.Biol.Chem., 2019
9HWT
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BU of 9hwt by Molmil
Crystal structure of the Keap1 Kelch domain in complex with the small molecule UCAB#985 at 1.65 Angstrom resolution
分子名称: (3~{S})-3-[7-[2-(cycloheptylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]-3-(6-methyl-1,3-benzodioxol-5-yl)propanoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2025-01-06
公開日2025-09-03
最終更新日2025-10-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Fragment-Based Drug Discovery of Novel High-affinity, Selective, and Anti-inflammatory Inhibitors of the Keap1-Nrf2 Protein-Protein Interaction.
Angew.Chem.Int.Ed.Engl., 64, 2025
9HWU
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BU of 9hwu by Molmil
Crystal structure of the Keap1 Kelch domain in complex with the small molecule UCAB#1004 at 1.40 Angstrom resolution
分子名称: (3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2025-01-06
公開日2025-09-03
最終更新日2025-10-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fragment-Based Drug Discovery of Novel High-affinity, Selective, and Anti-inflammatory Inhibitors of the Keap1-Nrf2 Protein-Protein Interaction.
Angew.Chem.Int.Ed.Engl., 64, 2025
9HWX
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BU of 9hwx by Molmil
Crystal structure of the Keap1 Kelch domain in complex with the small molecule UCAB#1090 at 1.74 Angstrom resolution
分子名称: (3~{S})-3-[7-[2-(cycloheptylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2025-01-06
公開日2025-09-03
最終更新日2025-10-08
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Fragment-Based Drug Discovery of Novel High-affinity, Selective, and Anti-inflammatory Inhibitors of the Keap1-Nrf2 Protein-Protein Interaction.
Angew.Chem.Int.Ed.Engl., 64, 2025

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