7Q05
 
 | | Crystal structure of TPADO in complex with TPA | | 分子名称: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Lysozyme, ... | | 著者 | Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E. | | 登録日 | 2021-10-14 | | 公開日 | 2022-03-30 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism.
Proc.Natl.Acad.Sci.USA, 119, 2022
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1F2A
 | | CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (II) | | 分子名称: | 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONYLMETHYLBENZENE, CRUZAIN | | 著者 | Brinen, L.S, Hansell, E, Roush, W.R, McKerrow, J.H, Fletterick, R.J. | | 登録日 | 2000-05-23 | | 公開日 | 2000-07-26 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A target within the target: probing cruzain's P1' site to define structural determinants for the Chagas' disease protease.
Structure Fold.Des., 8, 2000
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7Q04
 | | Crystal structure of TPADO in a substrate-free state | | 分子名称: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Lysozyme, ... | | 著者 | Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E. | | 登録日 | 2021-10-14 | | 公開日 | 2022-04-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.281 Å) | | 主引用文献 | Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6OPT
 | | HIV-1 Protease NL4-3 V82F, I84V Mutant in complex with darunavir | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3, SULFATE ION | | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | | 登録日 | 2019-04-25 | | 公開日 | 2019-09-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
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6OPX
 | | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, L76V, V82F, I84V Mutant in complex with darunavir | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | | 登録日 | 2019-04-25 | | 公開日 | 2019-09-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
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1F2B
 | | CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO VINYL SULFONE DERIVED INHIBITOR (III) | | 分子名称: | 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID 4-NITRO-PHENYL ESTER, CRUZAIN | | 著者 | Brinen, L.S, Hansell, E, Roush, W.R, McKerrow, J.H, Fletterick, R.J. | | 登録日 | 2000-05-23 | | 公開日 | 2000-07-26 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A target within the target: probing cruzain's P1' site to define structural determinants for the Chagas' disease protease.
Structure Fold.Des., 8, 2000
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1F2C
 | | CRYSTAL STRUCTURE ANALYSIS OF CRYZAIN BOUND TO VINYL SULFONE DERIVED INHIBITOR (IV) | | 分子名称: | 3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID BENZYLOXY-AMIDE, CRUZAIN | | 著者 | Brinen, L.S, Hansell, E, Roush, W.R, McKerrow, J.H, Fletterick, R.J. | | 登録日 | 2000-05-23 | | 公開日 | 2000-07-26 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A target within the target: probing cruzain's P1' site to define structural determinants for the Chagas' disease protease.
Structure Fold.Des., 8, 2000
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8CWM
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6XS7
 | | Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-D2 | | 分子名称: | 48V-DTY-THR-THR-ILE-TYR-TRP-THR-PRO-LEU-GLY-THR-PHE-PRO-ARG-ILE-ARG, FORMIC ACID, GLYCEROL, ... | | 著者 | Chen, K.-E, Guo, Q, Collins, B.M. | | 登録日 | 2020-07-15 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
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6XSA
 | | Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-L2 | | 分子名称: | 48V-TYR-LEU-PRO-THR-ILE-THR-GLY-VAL-GLY-HIS-LEU-TRP-HIS-PRO-LEU, SULFATE ION, Vacuolar protein sorting-associated protein 29 | | 著者 | Chen, K.-E, Guo, Q, Collins, B.M. | | 登録日 | 2020-07-15 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
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8FBP
 | | Glutamine synthetase from Pseudomonas aeruginosa, filament double-unit in compressed conformation | | 分子名称: | Glutamine synthetase | | 著者 | Phan, I.Q, Staker, B, Shek, R, Moser, T.H, Evans, J.E, van Voorhis, W.C, Myler, P.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2022-11-29 | | 公開日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Glutamine synthetase from Pseudomonas aeruginosa, filament double-unit in compressed conformation
To Be Published
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6XS5
 | | Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-D1 | | 分子名称: | 48V-DTY-ILE-ILE-ASP-THR-PRO-LEU-GLY-VAL-PHE-LEU-SER-SER-LEU-LYS-ARG, FORMIC ACID, GLYCEROL, ... | | 著者 | Chen, K.-E, Guo, Q, Collins, B.M. | | 登録日 | 2020-07-15 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
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2IH2
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6MAT
 | | Cryo-EM structure of the essential ribosome assembly AAA-ATPase Rix7 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Rix7 mutant, unknown protein | | 著者 | Lo, Y.H, Sobhany, M, Hsu, A.L, Ford, B.L, Krahn, J.M, Borgnia, M.J, Stanley, R.E. | | 登録日 | 2018-08-28 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Cryo-EM structure of the essential ribosome assembly AAA-ATPase Rix7.
Nat Commun, 10, 2019
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7ZNZ
 | | Crystal structure of unliganded form of FucOB, a GH95 family alpha-1,2-fucosidase from Akkermansia muciniphila | | 分子名称: | FucOB, a GH95 family alpha-1,2-fucosidase, GLYCEROL | | 著者 | Anso, I, Cifuente, J.O, Trastoy, B, Guerin, M.E. | | 登録日 | 2022-04-23 | | 公開日 | 2023-04-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Turning universal O into rare Bombay type blood.
Nat Commun, 14, 2023
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7ZIU
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7ZO0
 | | Crystal structure of catalytic inactive unliganded form of FucOB, a GH95 family alpha-1,2-fucosidase from Akkermansia muciniphila | | 分子名称: | GH95 family alpha-1,2-fucosidase, GLYCEROL | | 著者 | Anso, I, Cifuente, J.O, Trastoy, B, Guerin, M.E. | | 登録日 | 2022-04-23 | | 公開日 | 2023-04-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Turning universal O into rare Bombay type blood.
Nat Commun, 14, 2023
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6E7L
 | | Structure of a dimerized UUCG motif | | 分子名称: | RNA (5'-R(*GP*GP*GP*CP*UP*GP*CP*AP*CP*UP*UP*CP*GP*GP*UP*GP*CP*UP*GP*CP*CP*C)-3') | | 著者 | Montemayor, E.J, Butcher, S.E. | | 登録日 | 2018-07-26 | | 公開日 | 2019-07-31 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Structure of an RNA helix with pyrimidine mismatches and cross-strand stacking.
Acta Crystallogr.,Sect.F, 75, 2019
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6BFA
 | | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1553 | | 分子名称: | 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1 | | 著者 | Merritt, E.A. | | 登録日 | 2017-10-26 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
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5LGW
 | | GlgE isoform 1 from Streptomyces coelicolor D394A mutant co-crystallised with maltodextrin | | 分子名称: | 1,2-ETHANEDIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, CITRIC ACID, ... | | 著者 | Syson, K, Stevenson, C.E.M, Mia, F, Barclay, J.E, Tang, M, Gorelik, A, Rashid, A.M, Lawson, D.M, Bornemann, S. | | 登録日 | 2016-07-08 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE.
J.Biol.Chem., 291, 2016
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5LHP
 | | The p-aminobenzamidine active site inhibited catalytic domain of murine urokinase-type plasminogen activator in complex with the allosteric inhibitory nanobody Nb7 | | 分子名称: | 1,2-ETHANEDIOL, Camelid-Derived Antibody Fragment, P-AMINO BENZAMIDINE, ... | | 著者 | Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A. | | 登録日 | 2016-07-12 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | | 主引用文献 | Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator.
Sci Rep, 7, 2017
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8FAI
 | | Cryo-EM structure of the Agrobacterium T-pilus | | 分子名称: | (7Z,19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacos-7-en-19-yl (9Z)-octadec-9-enoate, Protein virB2 | | 著者 | Kreida, S, Narita, A, Johnson, M.D, Tocheva, E.I, Das, A, Jensen, G.J, Ghosal, D. | | 登録日 | 2022-11-27 | | 公開日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Cryo-EM structure of the Agrobacterium tumefaciens T4SS-associated T-pilus reveals stoichiometric protein-phospholipid assembly.
Structure, 31, 2023
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6MA2
 | | Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor ent-1a | | 分子名称: | Host Cell Factor 1 peptide, N-[(2S)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | | 著者 | Martin, S.E.S, Lazarus, M.B, Walker, S. | | 登録日 | 2018-08-25 | | 公開日 | 2018-10-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
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5LEO
 | | Complex structure of lysostaphin SH3b domain with peptidoglycan fragment | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLY-GLY-GLY-GLY-GLY, Lysostaphin, ... | | 著者 | Jagielska, E, Nowak, E, Bochtler, M, Sabala, I. | | 登録日 | 2016-06-30 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Complex structure of lysostaphin SH3doamin with peptidoglycan fragment
To Be Published
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6ORR
 | | Co-crystal structure of human NicotinamideN-Methyltransferase (NNMT) in complex with High-Affinity Alkynyl Bisubstrate Inhibitor NS1 | | 分子名称: | 9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-D-glycero-alpha-L-talo-decofuranuronosyl}-9H-purin-6-amine, GLYCEROL, NNMT protein | | 著者 | May, E.J, Policarpo, R.L, Gaudet, R. | | 登録日 | 2019-04-30 | | 公開日 | 2019-10-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | High-Affinity Alkynyl Bisubstrate Inhibitors of NicotinamideN-Methyltransferase (NNMT).
J.Med.Chem., 62, 2019
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