7PMT
 
 | | Human Cyclophilin D in complex with N-[(5-ethyl-4-oxo-1,2,3,4,5,6- hexahydro-1,5-benzodiazocin-8-yl)methyl]-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide | | 分子名称: | DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ... | | 著者 | Silva, D.O, Graedler, U, Bandeiras, T.M. | | 登録日 | 2021-09-02 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | | 主引用文献 | Human Cyclophilin D in complex with N-[(4-aminophenyl)methyl]-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
To Be Published
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6MW7
 | | Crystal structure of ATPase module of SMCHD1 bound to ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SODIUM ION, ... | | 著者 | Pedersen, L.C, Inoue, K, Kim, S, Perera, L, Shaw, N.D. | | 登録日 | 2018-10-29 | | 公開日 | 2019-09-11 | | 最終更新日 | 2019-12-18 | | 実験手法 | X-RAY DIFFRACTION (2.194 Å) | | 主引用文献 | A ubiquitin-like domain is required for stabilizing the N-terminal ATPase module of human SMCHD1.
Commun Biol, 2, 2019
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6VHH
 | | Human Teneurin-2 and human Latrophilin-3 binary 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, Adhesion G protein-coupled receptor L3, ... | | 著者 | Xie, Y, Li, J, Arac, D, Zhao, M. | | 登録日 | 2020-01-09 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | | 主引用文献 | Alternative splicing controls teneurin-latrophilin interaction and synapse specificity by a shape-shifting mechanism.
Nat Commun, 11, 2020
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6VC9
 | | TB19 complex | | 分子名称: | 1,2-ETHANEDIOL, 5'-nucleotidase, ecto (CD73), ... | | 著者 | Zhou, Y.F, Lord, D.M. | | 登録日 | 2019-12-20 | | 公開日 | 2020-11-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | A highly potent CD73 biparatopic antibody blocks organization of the enzyme active site through dual mechanisms.
J.Biol.Chem., 295, 2020
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6MQR
 | | Vaccine-elicited NHP FP-targeting neutralizing antibody 0PV-a.01 in complex with FP (residue 512-519) | | 分子名称: | CALCIUM ION, HIV fusion peptide residue 512-519, SULFATE ION, ... | | 著者 | Xu, K, Wang, Y, Kwong, P.D. | | 登録日 | 2018-10-10 | | 公開日 | 2019-07-31 | | 最終更新日 | 2019-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
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6UYE
 | | EBOV GPdMuc Makona bound to rEBOV-548 Fab | | 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, Antibody rEBOV-548 Fab, ... | | 著者 | Murin, C.D, Ward, A.B. | | 登録日 | 2019-11-13 | | 公開日 | 2020-03-11 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (3.96 Å) | | 主引用文献 | Analysis of a Therapeutic Antibody Cocktail Reveals Determinants for Cooperative and Broad Ebolavirus Neutralization.
Immunity, 52, 2020
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6PFB
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)propanoic acid. | | 分子名称: | 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2019-06-21 | | 公開日 | 2019-10-02 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.089 Å) | | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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6PHT
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6P1S
 | | Post-catalytic nicked complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and newly incorporated AMP | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A. | | 登録日 | 2019-05-20 | | 公開日 | 2019-09-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
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6P0J
 | | Crystal structure of GDP-bound human RalA | | 分子名称: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Ral-A | | 著者 | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Meroueh, S.O. | | 登録日 | 2019-05-17 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8ELH
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6PFI
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-(carboxymethyl)benzoic acid. | | 分子名称: | 3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | 著者 | Czyzyk, D.J, Anderson, K.S, Jorgensen, W.L, Valhondo, M. | | 登録日 | 2019-06-21 | | 公開日 | 2019-10-02 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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6PF4
 | | Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase, [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid | | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2019-06-21 | | 公開日 | 2019-10-02 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.854 Å) | | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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6PFE
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxybenzoic acid. | | 分子名称: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2019-06-21 | | 公開日 | 2019-10-02 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.812 Å) | | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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7NZM
 | | Cryo-EM structure of pre-dephosphorylation complex of phosphorylated eIF2alpha with trapped holophosphatase (PP1A_D64A/PPP1R15A/G-actin/DNase I) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | 著者 | Yan, Y, Hardwick, S, Ron, D. | | 登録日 | 2021-03-24 | | 公開日 | 2021-09-29 | | 最終更新日 | 2021-10-20 | | 実験手法 | ELECTRON MICROSCOPY (3.96 Å) | | 主引用文献 | Higher-order phosphatase-substrate contacts terminate the integrated stress response.
Nat.Struct.Mol.Biol., 28, 2021
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7PRC
 | | PHOTOSYNTHETIC REACTION CENTER FROM RHODOPSEUDOMONAS VIRIDIS (DG-420315 (TRIAZINE) COMPLEX) | | 分子名称: | 15-cis-1,2-dihydroneurosporene, 2-CHLORO-4-ETHYLAMINO-6-(R(+)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE, BACTERIOCHLOROPHYLL B, ... | | 著者 | Lancaster, C.R.D, Michel, H. | | 登録日 | 1997-08-01 | | 公開日 | 1999-04-06 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Refined crystal structures of reaction centres from Rhodopseudomonas viridis in complexes with the herbicide atrazine and two chiral atrazine derivatives also lead to a new model of the bound carotenoid.
J.Mol.Biol., 286, 1999
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8TCG
 | | Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ... | | 著者 | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | | 登録日 | 2023-06-30 | | 公開日 | 2023-09-27 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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6YNQ
 | | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | | 分子名称: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-04-14 | | 公開日 | 2020-04-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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8F2B
 | | Amylin 3 Receptor in complex with Gs and Pramlintide analogue peptide San45 | | 分子名称: | (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | | 著者 | Cao, J, Sexton, P.M, Wootten, D.L, Belousoff, M.J. | | 登録日 | 2022-11-07 | | 公開日 | 2023-08-02 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (2 Å) | | 主引用文献 | Structural insight into selectivity of amylin and calcitonin receptor agonists.
Nat.Chem.Biol., 20, 2024
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6OYW
 | | ASK1 kinase domain in complex with Compound 11 | | 分子名称: | (19S)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9H)-one, MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase 5 | | 著者 | Marcotte, D.J. | | 登録日 | 2019-05-15 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.603 Å) | | 主引用文献 | Rational Design and Optimization of a Novel Class of Macrocyclic Apoptosis Signal-Regulating Kinase 1 Inhibitors.
J.Med.Chem., 62, 2019
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6MTT
 | | Crystal structure of VRC46.01 Fab in complex with gp41 peptide | | 分子名称: | Antibody VRC46.01 Fab heavy chain, Antibody VRC46.01 Fb light chain, RV217 founder virus gp41 peptide | | 著者 | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Veradi, R, Doria-Rose, N.A, Kwong, P.D. | | 登録日 | 2018-10-21 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
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7QU5
 | | X-ray structure of FAD domain of NqrF of Pseudomonas aeruginosa | | 分子名称: | DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | 著者 | Stegmann, D, Steuber, J, Fritz, G. | | 登録日 | 2022-01-17 | | 公開日 | 2022-02-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Fast fragment- and compound-screening pipeline at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 78, 2022
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7QBT
 | | B12-dependent radical SAM methyltransferase, Mmp10 with [4Fe-4S] cluster, cobalamin, and S-methyl-5'-thioadenosine bound. | | 分子名称: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, CO-METHYLCOBALAMIN, FE (III) ION, ... | | 著者 | Fyfe, C.D, Chavas, L.M.G, Legrand, P, Benjdia, A, Berteau, O. | | 登録日 | 2021-11-19 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystallographic snapshots of a B 12 -dependent radical SAM methyltransferase.
Nature, 602, 2022
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7QTY
 | | X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae | | 分子名称: | 1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Stegmann, D, Steuber, J, Fritz, G. | | 登録日 | 2022-01-17 | | 公開日 | 2022-02-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Fast fragment- and compound-screening pipeline at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 78, 2022
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7QBV
 | | B12-dependent radical SAM methyltransferase, Mmp10 with [4Fe-4S] cluster, cobalamin, and S-adenosyl-L-homocysteine bound. | | 分子名称: | CO-METHYLCOBALAMIN, FE (III) ION, IRON/SULFUR CLUSTER, ... | | 著者 | Fyfe, C.D, Chavas, L.M.G, Legrand, P, Benjdia, A, Berteau, O. | | 登録日 | 2021-11-19 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | | 主引用文献 | Crystallographic snapshots of a B 12 -dependent radical SAM methyltransferase.
Nature, 602, 2022
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