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8F4K
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BU of 8f4k by Molmil
RT XFEL structure of the three-flash state of Photosystem II (3F, S0-rich) at 2.16 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Bhowmick, A, Hussein, R, Bogacz, I, Simon, P.S, Ibrahim, M, Chatterjee, R, Doyle, M.D, Cheah, M.H, Fransson, T, Chernev, P, Kim, I.-S, Makita, H, Dasgupta, M, Kaminsky, C.J, Zhang, M, Gatcke, J, Haupt, S, Nangca, I.I, Keable, S.M, Aydin, O, Tono, K, Owada, S, Gee, L.B, Fuller, F.D, Batyuk, A, Alonso-Mori, R, Holton, J.M, Paley, D.W, Moriarty, N.W, Mamedov, F, Adams, P.D, Brewster, A.S, Dobbek, H, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yano, J, Yachandra, V.K.
登録日2022-11-10
公開日2023-03-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structural evidence for intermediates during O 2 formation in photosystem II.
Nature, 617, 2023
7RPF
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X-ray crystal structure of OXA-24/40 in complex with doripenem
分子名称: (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, BICARBONATE ION, ...
著者Powers, R.A, Mitchell, J.M, June, C.M.
登録日2021-08-03
公開日2022-07-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conformational flexibility in carbapenem hydrolysis drives substrate specificity of the class D carbapenemase OXA-24/40.
J.Biol.Chem., 298, 2022
7RPG
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X-ray crystal structure of OXA-24/40 K84D in complex with cefotaxime
分子名称: Beta-lactamase, CEFOTAXIME, C3' cleaved, ...
著者Powers, R.A, Mitchell, J.M, June, C.M.
登録日2021-08-03
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Conformational flexibility in carbapenem hydrolysis drives substrate specificity of the class D carbapenemase OXA-24/40.
J.Biol.Chem., 298, 2022
8F4D
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RT XFEL structure of Photosystem II 50 microseconds after the third illumination at 2.15 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Bhowmick, A, Hussein, R, Bogacz, I, Simon, P.S, Ibrahim, M, Chatterjee, R, Doyle, M.D, Cheah, M.H, Fransson, T, Chernev, P, Kim, I.-S, Makita, H, Dasgupta, M, Kaminsky, C.J, Zhang, M, Gatcke, J, Haupt, S, Nangca, I.I, Keable, S.M, Aydin, O, Tono, K, Owada, S, Gee, L.B, Fuller, F.D, Batyuk, A, Alonso-Mori, R, Holton, J.M, Paley, D.W, Moriarty, N.W, Mamedov, F, Adams, P.D, Brewster, A.S, Dobbek, H, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yano, J, Yachandra, V.K.
登録日2022-11-10
公開日2023-03-22
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural evidence for intermediates during O 2 formation in photosystem II.
Nature, 617, 2023
7RPE
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X-ray crystal structure of OXA-24/40 in complex with ertapenem
分子名称: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, BICARBONATE ION, Beta-lactamase, ...
著者Powers, R.A, Mitchell, J.M, June, C.M.
登録日2021-08-03
公開日2022-07-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Conformational flexibility in carbapenem hydrolysis drives substrate specificity of the class D carbapenemase OXA-24/40.
J.Biol.Chem., 298, 2022
8F4E
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RT XFEL structure of Photosystem II 250 microseconds after the third illumination at 2.09 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Bhowmick, A, Hussein, R, Bogacz, I, Simon, P.S, Ibrahim, M, Chatterjee, R, Doyle, M.D, Cheah, M.H, Fransson, T, Chernev, P, Kim, I.-S, Makita, H, Dasgupta, M, Kaminsky, C.J, Zhang, M, Gatcke, J, Haupt, S, Nangca, I.I, Keable, S.M, Aydin, O, Tono, K, Owada, S, Gee, L.B, Fuller, F.D, Batyuk, A, Alonso-Mori, R, Holton, J.M, Paley, D.W, Moriarty, N.W, Mamedov, F, Adams, P.D, Brewster, A.S, Dobbek, H, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yano, J, Yachandra, V.K.
登録日2022-11-10
公開日2023-03-22
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural evidence for intermediates during O 2 formation in photosystem II.
Nature, 617, 2023
8F4G
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RT XFEL structure of Photosystem II 730 microseconds after the third illumination at 2.03 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Bhowmick, A, Hussein, R, Bogacz, I, Simon, P.S, Ibrahim, M, Chatterjee, R, Doyle, M.D, Cheah, M.H, Fransson, T, Chernev, P, Kim, I.-S, Makita, H, Dasgupta, M, Kaminsky, C.J, Zhang, M, Gatcke, J, Haupt, S, Nangca, I.I, Keable, S.M, Aydin, O, Tono, K, Owada, S, Gee, L.B, Fuller, F.D, Batyuk, A, Alonso-Mori, R, Holton, J.M, Paley, D.W, Moriarty, N.W, Mamedov, F, Adams, P.D, Brewster, A.S, Dobbek, H, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yano, J, Yachandra, V.K.
登録日2022-11-10
公開日2023-03-22
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural evidence for intermediates during O 2 formation in photosystem II.
Nature, 617, 2023
8F4J
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BU of 8f4j by Molmil
RT XFEL structure of Photosystem II 4000 microseconds after the third illumination at 2.00 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Bhowmick, A, Hussein, R, Bogacz, I, Simon, P.S, Ibrahim, M, Chatterjee, R, Doyle, M.D, Cheah, M.H, Fransson, T, Chernev, P, Kim, I.-S, Makita, H, Dasgupta, M, Kaminsky, C.J, Zhang, M, Gatcke, J, Haupt, S, Nangca, I.I, Keable, S.M, Aydin, O, Tono, K, Owada, S, Gee, L.B, Fuller, F.D, Batyuk, A, Alonso-Mori, R, Holton, J.M, Paley, D.W, Moriarty, N.W, Mamedov, F, Adams, P.D, Brewster, A.S, Dobbek, H, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yano, J, Yachandra, V.K.
登録日2022-11-10
公開日2023-03-22
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural evidence for intermediates during O 2 formation in photosystem II.
Nature, 617, 2023
6EV2
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BU of 6ev2 by Molmil
Crystal structure of antibody against schizophyllan in complex with laminarihexaose
分子名称: Heavy chain, Light chain, beta-D-glucopyranose, ...
著者Sung, K.H, Josewski, J, Duebel, S, Blankenfeldt, W, Rau, U.
登録日2017-11-01
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Structural insights into antigen recognition of an anti-beta-(1,6)-beta-(1,3)-D-glucan antibody.
Sci Rep, 8, 2018
7RP8
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BU of 7rp8 by Molmil
X-ray crystal structure of OXA-24/40 K84D in complex with imipenem
分子名称: Beta-lactamase, Imipenem, SULFATE ION
著者Powers, R.A, Mitchell, J.M, June, C.M.
登録日2021-08-03
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Conformational flexibility in carbapenem hydrolysis drives substrate specificity of the class D carbapenemase OXA-24/40.
J.Biol.Chem., 298, 2022
8DLN
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BU of 8dln by Molmil
Cryo-EM structure of SARS-CoV-2 Beta (B.1.351) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-07-08
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
8DLK
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Cryo-EM structure of SARS-CoV-2 Alpha (B.1.1.7) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-07-08
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
8DLR
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BU of 8dlr by Molmil
Cryo-EM structure of SARS-CoV-2 Gamma (P.1) spike protein in complex with Fab 4-8 (focused refinement of NTD and 4-8)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 4-8 heavy chain, Fab 4-8 light chain, ...
著者Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-07-08
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (2.51 Å)
主引用文献SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
8DLV
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Cryo-EM structure of SARS-CoV-2 Epsilon (B.1.429) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-07-08
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
8CRQ
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BU of 8crq by Molmil
Local refinement of Band 3-I transmembrane domains, class 1 of erythrocyte ankyrin-1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, CHOLESTEROL, ...
著者Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
登録日2022-05-11
公開日2022-07-20
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
8CRR
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Local refinement of Band 3-III transmembrane domains, class 1 of erythrocyte ankyrin-1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, CHOLESTEROL, ...
著者Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
登録日2022-05-11
公開日2022-07-20
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
8CS9
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BU of 8cs9 by Molmil
Composite reconstruction of Class 1 of the erythrocyte ankyrin-1 complex
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, Ammonium transporter Rh type A, ...
著者Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
登録日2022-05-12
公開日2022-07-20
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
8CRT
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BU of 8crt by Molmil
Local refinement of Rh trimer, glycophorin B and Band3-III transmembrane region, class 1a of erythrocyte ankyrin-1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ammonium transporter Rh type A, Band 3 anion transport protein, ...
著者Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
登録日2022-05-11
公開日2022-07-20
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
6H4R
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BU of 6h4r by Molmil
Crystal structure of human KDM4A in complex with compound 17f
分子名称: 8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Le Bihan, Y.V, van Montfort, R.L.M.
登録日2018-07-23
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
8CT3
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Local refinement of band3-I transmembrane region from class 2 of erythrocyte ankyrin-1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, CHOLESTEROL, ...
著者Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
登録日2022-05-13
公開日2022-07-20
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
5KTH
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BU of 5kth by Molmil
Structure of cow mincle complexed with brartemicin
分子名称: 2,4-dihydroxy-6-methyl Benzoic acid, CALCIUM ION, TRIETHYLENE GLYCOL, ...
著者Feinberg, H, Rambaruth, N.D.S, Jegouzo, S.A.F, Jacobsen, K.M, Djurhuus, R, Poulsen, T.B, Taylor, M.E, Drickamer, K, Weis, W.I.
登録日2016-07-11
公開日2016-08-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle.
J.Biol.Chem., 291, 2016
6TT9
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BU of 6tt9 by Molmil
rTBL Recombinant Lectin From Tepary Bean
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HEXANE, ...
著者Martinez Alarcon, D, Varrot, A.
登録日2019-12-26
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Recombinant Lectin from Tepary Bean (Phaseolus acutifolius) with Specific Recognition for Cancer-Associated Glycans: Production, Structural Characterization, and Target Identification.
Biomolecules, 10, 2020
7UOG
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BU of 7uog by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and asymmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence.
分子名称: DNA (5'-D(AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*CP*CP*GP*CP*CP*TP*T)-3', DNA (5'-D(GP*TP*AP*AP*GP*GP*CP*GP*GP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*G)-3', MAGNESIUM ION, ...
著者Ward, A.R, Snow, C.D.
登録日2022-04-12
公開日2023-04-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
5KZN
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Metabotropic Glutamate Receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Metabotropic glutamate receptor 2
著者Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P.
登録日2016-07-25
公開日2016-12-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
7UXY
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BU of 7uxy by Molmil
Isoreticular, interpenetrating co-crystal of protein variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence.
分子名称: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*P*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*P*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*G)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Snow, C.D.
登録日2022-05-06
公開日2023-05-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023

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