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1EVW
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BU of 1evw by Molmil
L116A MUTANT OF THE HOMING ENDONUCLEASE I-PPOI COMPLEXED TO HOMING SITE DNA.
分子名称: DNA (5'-D(*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*A)-3'), DNA (5'-D(*TP*GP*GP*CP*TP*AP*CP*CP*TP*TP*AP*A)-3'), DNA (5'-D(P*GP*AP*GP*AP*GP*TP*CP*A)-3'), ...
著者Galburt, E.A, Jurica, M.S, Chevalier, B.S, Erho, D, Stoddard, B.L.
登録日2000-04-20
公開日2000-08-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Conformational changes and cleavage by the homing endonuclease I-PpoI: a critical role for a leucine residue in the active site.
J.Mol.Biol., 300, 2000
6HQN
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BU of 6hqn by Molmil
Crystal structure of GcoA F169L bound to guaiacol
分子名称: Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE
著者Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E.
登録日2018-09-25
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
6X41
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BU of 6x41 by Molmil
Crystal structure of inactive enzymatic binary toxin component from Clostridium difficile
分子名称: CdtA, GLYCEROL
著者Pozharski, E.
登録日2020-05-21
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Crystal structure of inactive enzymatic binary toxin component from Clostridium difficile
To Be Published
6QW3
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BU of 6qw3 by Molmil
Calcium-bound gelsolin domain 2
分子名称: CALCIUM ION, Gelsolin
著者Scalone, E, Boni, F, Milani, M, Mastrangelo, E, de Rosa, M.
登録日2019-03-05
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献High-resolution crystal structure of gelsolin domain 2 in complex with the physiological calcium ion.
Biochem.Biophys.Res.Commun., 518, 2019
6U1Q
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BU of 6u1q by Molmil
Crystal Structure of VpsO (VC0937) Kinase domain
分子名称: O-PHOSPHOTYROSINE, VpsO
著者Tripathi, S.M, Schwechheimer, C, Herbert, K, Porcella, M.E, Brown, E.R, Yildiz, F.H, Rubin, S.M.
登録日2019-08-16
公開日2020-08-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献A tyrosine phosphoregulatory system controls exopolysaccharide biosynthesis and biofilm formation in Vibrio cholerae.
Plos Pathog., 16, 2020
3M32
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BU of 3m32 by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
分子名称: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
著者Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
登録日2010-03-08
公開日2010-09-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
6HUE
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BU of 6hue by Molmil
ParkinS65N
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ...
著者McWilliams, T.G, Barini, E, Pohjolan-Pirhonen, R, Brooks, S.P, Singh, F, Burel, S, Balk, K, Kumar, A, Montava-Garriga, L, Prescott, A.R, Hassoun, S.M, Mouton-Liger, F, Ball, G, Hills, R, Knebel, A, Ulusoy, A, Di Monte, D.A, Tamjar, J, Antico, O, Fears, K, Smith, L, Brambilla, R, Palin, E, Valori, M, Eerola-Rautio, J, Tienari, P, Corti, O, Dunnett, S.B, Ganley, I.G, Suomalainen, A, Muqit, M.M.K.
登録日2018-10-07
公開日2018-10-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Phosphorylation of Parkin at serine 65 is essential for its activation in vivo .
Open Biology, 8, 2018
6QZ7
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BU of 6qz7 by Molmil
Structure of MBP-Mcl-1 in complex with compound 8b
分子名称: (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ...
著者Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A.
登録日2019-03-11
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
8P7W
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BU of 8p7w by Molmil
Structure of 5D3-Fab and nanobody(Nb8)-bound ABCG2
分子名称: 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ATP-binding cassette sub-family G member 2, ...
著者Irobalieva, R.N, Manolaridis, I, Jackson, S.M, Ni, D, Pardon, E, Stahlberg, H, Steyaert, J, Locher, K.P.
登録日2023-05-31
公開日2023-08-30
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structural Basis of the Allosteric Inhibition of Human ABCG2 by Nanobodies.
J.Mol.Biol., 435, 2023
5ZX5
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BU of 5zx5 by Molmil
3.3 angstrom structure of mouse TRPM7 with EDTA
分子名称: CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 7
著者Zhang, J, Li, Z, Duan, J, Li, J, Hulse, R.E, Santa-Cruz, A, Abiria, S.A, Krapivinsky, G, Clapham, D.E.
登録日2018-05-18
公開日2018-10-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Structure of the mammalian TRPM7, a magnesium channel required during embryonic development.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6QWG
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BU of 6qwg by Molmil
Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase from Achromobacter cycloclastes: Nitrite complex at Room Temperature
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION
著者Ebrahim, A.E, Moreno-Chicano, T, Appleby, M.V, Worrall, J.W, Duyvesteyn, H.M.E, Strange, R.W, Beale, J, Axford, D, Sherrell, D.A, Sugimoto, H, Owada, S, Tono, K, Owen, R.L.
登録日2019-03-05
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography.
Iucrj, 6, 2019
4KBS
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BU of 4kbs by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 12:0 phosphatidic acid (12:0 PA)
分子名称: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1,2-ETHANEDIOL, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-23
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
7PQ7
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BU of 7pq7 by Molmil
Crystal structure of Campylobacter jejuni DsbA1
分子名称: TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA
著者Wilk, P, Orlikowska, M, Banas, A.M, Bocian-Ostrzycka, K.M, Jagusztyn-Krynicka, E.K.
登録日2021-09-16
公開日2021-12-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Interplay between DsbA1, DsbA2 and C8J_1298 Periplasmic Oxidoreductases of Campylobacter jejuni and Their Impact on Bacterial Physiology and Pathogenesis.
Int J Mol Sci, 22, 2021
6QXJ
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BU of 6qxj by Molmil
Structure of MBP-Mcl-1 in complex with compound 6a
分子名称: (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ...
著者Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A.
登録日2019-03-07
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
1EW2
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BU of 1ew2 by Molmil
CRYSTAL STRUCTURE OF A HUMAN PHOSPHATASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, PHOSPHATASE, ...
著者Le Du, M.H, Stigbrand, T, Taussig, M.J, Menez, A, Stura, E.A.
登録日2000-04-21
公開日2001-04-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structure of alkaline phosphatase from human placenta at 1.8 A resolution. Implication for a substrate specificity.
J.Biol.Chem., 276, 2001
8P8J
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BU of 8p8j by Molmil
Structure of 5D3-Fab and nanobody(Nb96)-bound ABCG2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ...
著者Irobalieva, R.N, Manolaridis, I, Jackson, S.M, Ni, D, Pardon, E, Stahlberg, H, Steyaert, J, Locher, K.P.
登録日2023-06-01
公開日2023-08-30
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Structural Basis of the Allosteric Inhibition of Human ABCG2 by Nanobodies.
J.Mol.Biol., 435, 2023
1EYY
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BU of 1eyy by Molmil
CRYSTAL STRUCTURE OF THE NADP+ DEPENDENT ALDEHYDE DEHYDROGENASE FROM VIBRIO HARVEYI.
分子名称: ALDEHYDE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Ahvazi, B, Coulombe, R, Delarge, M, Vedadi, M, Zhang, L, Meighen, E, Vrielink, A.
登録日2000-05-09
公開日2000-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the NADP+-dependent aldehyde dehydrogenase from Vibrio harveyi: structural implications for cofactor specificity and affinity.
Biochem.J., 349, 2000
8OQ6
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CryoEM structure of human rho1 GABAA receptor apo state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DECANE, ...
著者Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E.
登録日2023-04-11
公開日2023-08-30
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor.
Neuron, 111, 2023
6HP9
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Structure of the kinase domain of human DDR1 in complex with a 2-Amino-2,3-Dihydro-1H-Indene-5-Carboxamide-based inhibitor
分子名称: (2~{R})-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{H}-indene-5-carboxamide, Epithelial discoidin domain-containing receptor 1
著者Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC)
登録日2018-09-19
公開日2019-01-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献2-Amino-2,3-dihydro-1H-indene-5-carboxamide-Based Discoidin Domain Receptor 1 (DDR1) Inhibitors: Design, Synthesis, and in Vivo Antipancreatic Cancer Efficacy.
J.Med.Chem., 62, 2019
8PC5
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BU of 8pc5 by Molmil
H3K36me3 nucleosome-LEDGF/p75 PWWP domain complex
分子名称: Histone H2A, Histone H2B 1.1, Histone H3, ...
著者Koutna, E, Kouba, T, Veverka, V.
登録日2023-06-09
公開日2023-08-16
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Multivalency of nucleosome recognition by LEDGF.
Nucleic Acids Res., 51, 2023
8PEO
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BU of 8peo by Molmil
H3K36me2 nucleosome-LEDGF/p75 PWWP domain complex
分子名称: (2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid, Histone H2A, Histone H2B 1.1, ...
著者Koutna, E, Kouba, T, Veverka, V.
登録日2023-06-14
公開日2023-08-16
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.69 Å)
主引用文献Multivalency of nucleosome recognition by LEDGF.
Nucleic Acids Res., 51, 2023
6HQL
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BU of 6hql by Molmil
Crystal structure of GcoA F169H bound to guaiacol
分子名称: Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE
著者Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E.
登録日2018-09-25
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
7PKI
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Crystal structure of human ACE2 bound to the spike receptor-binding domain from a cave bat sarbecovirus closely related to SARS-CoV-2.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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Baquero, E, Rey, F.A.
登録日2021-08-25
公開日2022-01-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.94234133 Å)
主引用文献Bat coronaviruses related to SARS-CoV-2 and infectious for human cells.
Nature, 604, 2022
6HQT
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BU of 6hqt by Molmil
Crystal structure of GcoA F169V bound to syringol
分子名称: 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E.
登録日2018-09-25
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
8OQ7
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BU of 8oq7 by Molmil
CryoEM structure of human rho1 GABAA receptor in complex with inhibitor TPMPA
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DECANE, ...
著者Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E.
登録日2023-04-11
公開日2023-08-30
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor.
Neuron, 111, 2023

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