8BJI
 
 | | chimera of ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo fused to a proline-Rich-Domain (PRD) and profilin, bound to ADP-Mg-actin and a sulfate ion | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | | 著者 | Teixeira-Nunes, M, Renault, L, Retailleau, P. | | 登録日 | 2022-11-04 | | 公開日 | 2023-09-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Plos Pathog., 19, 2023
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8BN1
 | | The structures of Ace2 in complex with bicyclic peptide inhibitor | | 分子名称: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-4PH-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2, ... | | 著者 | Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M. | | 登録日 | 2022-11-11 | | 公開日 | 2023-09-20 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2.
J.Med.Chem., 66, 2023
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8BO4
 | | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 1 | | 分子名称: | 4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, GLYCEROL | | 著者 | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, M, Lang, D, Heitmeier, S, Hillisch, A. | | 登録日 | 2022-11-14 | | 公開日 | 2023-09-13 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
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6Z3Q
 | | Structure of EV71 in complex with a protective antibody 38-1-10A Fab | | 分子名称: | Heavy chain, Light chain, SPHINGOSINE, ... | | 著者 | Zhou, D, Fry, E.E, Ren, J, Stuart, D.I. | | 登録日 | 2020-05-21 | | 公開日 | 2020-09-02 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Structural and functional analysis of protective antibodies targeting the threefold plateau of enterovirus 71.
Nat Commun, 11, 2020
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8YUB
 | | Crystal structure of SARS-CoV-2 ConSp RBD in complex with neutralizing antibody CC25.4 Fab | | 分子名称: | 1,2-ETHANEDIOL, Neutralizing antibody CC25.4 heavy chain, Neutralizing antibody CC25.4 light chain, ... | | 著者 | Kang, J.M, Yuan, M, Han, B.W, Wilson, I.A. | | 登録日 | 2024-03-27 | | 公開日 | 2025-10-01 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Structure and antigenic characteristics of consensus sequence-based SARS-CoV-2 antigen
To Be Published
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6Z8W
 | | X-ray structure of the complex between human alpha thrombin and a thrombin binding aptamer variant (TBA-3G), which contains 1-beta-D-glucopyranosyl residue in the side chain of Thy3 at N3. | | 分子名称: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, Prothrombin, ... | | 著者 | Troisi, R, Timofeev, E.N, Sica, F. | | 登録日 | 2020-06-02 | | 公開日 | 2021-01-27 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Expanding the recognition interface of the thrombin-binding aptamer HD1 through modification of residues T3 and T12.
Mol Ther Nucleic Acids, 23, 2021
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7PWA
 | | PARP15 catalytic domain in complex with OUL237 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(cyclopentylmethoxy)benzamide, Protein mono-ADP-ribosyltransferase PARP15 | | 著者 | Maksimainen, M.M, Lehtio, L. | | 登録日 | 2021-10-06 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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9ESH
 | | Structure of a B-state intermediate committed to discard (Bd-I state) | | 分子名称: | G-patch domain-containing protein C1486.03, GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | | 著者 | Soni, K, Wild, K, Sinning, I. | | 登録日 | 2024-03-26 | | 公開日 | 2024-12-25 | | 最終更新日 | 2025-05-28 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structures of aberrant spliceosome intermediates on their way to disassembly.
Nat.Struct.Mol.Biol., 32, 2025
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7PW3
 | | PARP15 catalytic domain in complex with OUL217 | | 分子名称: | 4-(cyclohexylmethoxy)benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | | 著者 | Maksimainen, M.M, Murthy, S, Lehtio, L. | | 登録日 | 2021-10-06 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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7PWC
 | | PARP15 catalytic domain in complex with OUL238 | | 分子名称: | 4-(cyclobutylmethoxy)benzamide, Protein mono-ADP-ribosyltransferase PARP15 | | 著者 | Maksimainen, M.M, Lehtio, L. | | 登録日 | 2021-10-06 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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7PWK
 | | PARP15 catalytic domain in complex with OUL239 | | 分子名称: | 4-(cyclopropylmethoxy)benzamide, Protein mono-ADP-ribosyltransferase PARP15 | | 著者 | Maksimainen, M.M, Lehtio, L. | | 登録日 | 2021-10-07 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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7PWM
 | | PARP15 catalytic domain in complex with OUL252 | | 分子名称: | 4-(cyclohexylmethoxy)-2-methoxy-benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | | 著者 | Maksimainen, M.M, Lehtio, L. | | 登録日 | 2021-10-07 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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8E35
 | | E. coli 50S ribosome bound to compound SAB002 | | 分子名称: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ... | | 著者 | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | 登録日 | 2022-08-16 | | 公開日 | 2023-06-28 | | 最終更新日 | 2025-03-19 | | 実験手法 | ELECTRON MICROSCOPY (2.27 Å) | | 主引用文献 | Potential for clicked streptogramin analogs
To Be Published
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9R6Y
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8E33
 | | E. coli 50S ribosome bound to compound streptogramin analog SAB001 | | 分子名称: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ... | | 著者 | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | 登録日 | 2022-08-16 | | 公開日 | 2023-06-28 | | 最終更新日 | 2025-03-19 | | 実験手法 | ELECTRON MICROSCOPY (2.23 Å) | | 主引用文献 | Potential for clicked streptogramin analogs
To Be Published
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8CIR
 | | The FERM domain of human moesin with a bound peptide identified by phage display | | 分子名称: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Leisner, T.M, Fairhead, M, Bountra, C, von Delft, F, Pearce, K.H, Brennan, P.E. | | 登録日 | 2023-02-10 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
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8ENI
 | | Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor | | 分子名称: | 3-[4-(5-fluoro-4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-5-methyl-1,3-benzoxazol-2(3H)-one, Bifunctional ligase/repressor BirA | | 著者 | Wilce, M.C.J, Cini, D.A. | | 登録日 | 2022-09-30 | | 公開日 | 2022-11-30 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus.
ACS Infect Dis, 4, 2018
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6NE9
 | | Bacteroides intestinalis acetyl xylan esterase (BACINT_01039) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Koropatkin, N.M, Pereira, G.V, Cann, I. | | 登録日 | 2018-12-17 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.738 Å) | | 主引用文献 | Degradation of complex arabinoxylans by human colonic Bacteroidetes
Nat Commun, 2021
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8IOU
 | | Structure of SARS-CoV-2 XBB.1 spike glycoprotein in complex with ACE2 (1-up state) | | 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, Processed angiotensin-converting enzyme 2, ... | | 著者 | Anraku, Y, Kita, S, Yajima, H, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T. | | 登録日 | 2023-03-13 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | | 主引用文献 | Virological characteristics of the SARS-CoV-2 XBB variant derived from recombination of two Omicron subvariants.
Nat Commun, 14, 2023
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9RLM
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9RJ0
 | | SARS-CoV-2 with a bound inhibitor | | 分子名称: | 1-(benzimidazol-1-yl)-3-[(4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-thiochromen-4-yl]urea, 3C-like proteinase nsp5, SODIUM ION | | 著者 | Mac Sweeney, A. | | 登録日 | 2025-06-12 | | 公開日 | 2025-07-09 | | 実験手法 | X-RAY DIFFRACTION (1.709 Å) | | 主引用文献 | SARS-CoV-2 with a bound inhibitor
To Be Published
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8IOV
 | | Structure of SARS-CoV-2 XBB.1 spike RBD in complex with ACE2 | | 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, Processed angiotensin-converting enzyme 2, ... | | 著者 | Anraku, Y, Kita, S, Yajima, H, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T. | | 登録日 | 2023-03-13 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | | 主引用文献 | Virological characteristics of the SARS-CoV-2 XBB variant derived from recombination of two Omicron subvariants.
Nat Commun, 14, 2023
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8ER6
 | | FKBP12-FRB in Complex with Compound 11 | | 分子名称: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | | 著者 | Tomlinson, A.C.A, Yano, J.K. | | 登録日 | 2022-10-11 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
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8QPG
 | | Turret of Haloferax tailed virus 1 | | 分子名称: | MAGNESIUM ION, Prokaryotic polysaccharide deacetylase, ZINC ION, ... | | 著者 | Zhang, D, Daum, B, Isupov, M.N, McLaren, M. | | 登録日 | 2023-10-02 | | 公開日 | 2024-10-09 | | 最終更新日 | 2025-10-22 | | 実験手法 | ELECTRON MICROSCOPY (2.36 Å) | | 主引用文献 | Cryo-EM resolves the structure of the archaeal dsDNA virus HFTV1 from head to tail.
Sci Adv, 11, 2025
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7A6W
 | | Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 33-(Z) | | 分子名称: | (2S,9S,12R,20Z)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-28,31-dimethoxy-11,18,23,26-tetraoxa-4-azatetracyclo[25.2.2.113,17.04,9]dotriaconta-1(29),13(32),14,16,20,27,30-heptaene-3,10-dione, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F. | | 登録日 | 2020-08-27 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors.
J.Med.Chem., 64, 2021
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