8P2X
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![BU of 8p2x by Molmil](/molmil-images/mine/8p2x) | Structure of human SIT1:ACE2 complex (open PD conformation) | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 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 | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | 登録日 | 2023-05-16 | 公開日 | 2024-06-12 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.59 Å) | 主引用文献 | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2. Nat Commun, 15, 2024
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8P2W
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![BU of 8p2w by Molmil](/molmil-images/mine/8p2w) | Structure of human SIT1 (focussed map / refinement) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Sodium- and chloride-dependent transporter XTRP3 | 著者 | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | 登録日 | 2023-05-16 | 公開日 | 2024-06-12 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.76 Å) | 主引用文献 | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2. Nat Commun, 15, 2024
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5Z84
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![BU of 5z84 by Molmil](/molmil-images/mine/5z84) | The structure of azide-bound cytochrome c oxidase determined using the crystals exposed to 20 mM azide solution for 4 days | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | 著者 | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | 登録日 | 2018-01-31 | 公開日 | 2018-08-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity. J. Biol. Chem., 293, 2018
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8P2Y
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![BU of 8p2y by Molmil](/molmil-images/mine/8p2y) | Structure of human SIT1:ACE2 complex (closed PD conformation) | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 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 | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | 登録日 | 2023-05-16 | 公開日 | 2024-06-12 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.46 Å) | 主引用文献 | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2. Nat Commun, 15, 2024
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8P43
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4AZ0
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![BU of 4az0 by Molmil](/molmil-images/mine/4az0) | crystal structure of cathepsin a, complexed with 8a. | 分子名称: | (S)-3-{[1-(2-Fluoro-phenyl)-5-hydroxy-1H-pyrazole-3-carbonyl]-amino}-3-o-tolyl-propionic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | 著者 | Ruf, S, Buning, C, Schreuder, H, Horstick, G, Linz, W, Olpp, T, Pernerstorfer, J, Hiss, K, Kroll, K, Kannt, A, Kohlmann, M, Linz, D, Huebschle, T, Ruetten, H, Wirth, K, Schmidt, T, Sadowski, T. | 登録日 | 2012-06-22 | 公開日 | 2012-09-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Novel Beta-Amino Acid Derivatives as Inhibitors of Cathepsin A. J.Med.Chem., 55, 2012
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6S5Z
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![BU of 6s5z by Molmil](/molmil-images/mine/6s5z) | Structure of Rib R28N from Streptococcus pyogenes | 分子名称: | SODIUM ION, Surface protein R28 | 著者 | Whelan, F, Griffiths, S.C, Whittingham, J.L, Bateman, A, Potts, J.R. | 登録日 | 2019-07-02 | 公開日 | 2019-12-11 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Defining the remarkable structural malleability of a bacterial surface protein Rib domain implicated in infection. Proc.Natl.Acad.Sci.USA, 116, 2019
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8P2Z
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![BU of 8p2z by Molmil](/molmil-images/mine/8p2z) | Structure of human SIT1 bound to L-pipecolate (focussed map / refinement) | 分子名称: | (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | 登録日 | 2023-05-16 | 公開日 | 2024-06-12 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2. Nat Commun, 15, 2024
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8P2R
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8P2E
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5YZM
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![BU of 5yzm by Molmil](/molmil-images/mine/5yzm) | Crystal structure of S9 peptidase (inactive form) from Deinococcus radiodurans R1 | 分子名称: | ACETATE ION, Acyl-peptide hydrolase, putative | 著者 | Yadav, P, Jamdar, S.N, Kumar, A, Ghosh, B, Makde, R.D. | 登録日 | 2017-12-15 | 公開日 | 2018-11-14 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Carboxypeptidase in prolyl oligopeptidase family: Unique enzyme activation and substrate-screening mechanisms. J.Biol.Chem., 294, 2019
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8P5K
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![BU of 8p5k by Molmil](/molmil-images/mine/8p5k) | Kinase domain of mutant human ULK1 in complex with compound MRT68921 | 分子名称: | GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | 登録日 | 2023-05-24 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.209 Å) | 主引用文献 | Crystal structures of ULK1 in complex with KCGS compounds To Be Published
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2KV7
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![BU of 2kv7 by Molmil](/molmil-images/mine/2kv7) | NMR solution structure of a soluble PrgI mutant from Salmonella Typhimurium | 分子名称: | Protein prgI | 著者 | Schmidt, H, Poyraz, O, Seidel, K, Delissen, F, Ader, C, Tenenboim, H, Goosmann, C, Laube, B, Thuenemann, A.F, Zychlinski, A, Baldus, M, Lange, A, Griesinger, C, Kolbe, M. | 登録日 | 2010-03-09 | 公開日 | 2010-06-16 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Protein refolding is required for assembly of the type three secretion needle. Nat.Struct.Mol.Biol., 17, 2010
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5ZD4
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![BU of 5zd4 by Molmil](/molmil-images/mine/5zd4) | Crystal structure of MBP-fused BIL1/BZR1 in complex with double-stranded DNA | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*CP*AP*CP*GP*TP*GP*TP*GP*AP*AP*A)-3'), Maltose-binding periplasmic protein,Protein BRASSINAZOLE-RESISTANT 1, ... | 著者 | Nosaki, S, Miyakawa, T, Xu, Y, Nakamura, A, Hirabayashi, K, Tanokura, M. | 登録日 | 2018-02-22 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Structural basis for brassinosteroid response by BIL1/BZR1. Nat Plants, 4, 2018
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8OUO
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![BU of 8ouo by Molmil](/molmil-images/mine/8ouo) | Human TPC2 in Complex with Antagonist (S)-SG-094 | 分子名称: | (1S)-6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | 著者 | Chi, G, Pike, A.C.W, Maclean, E.M, Li, H, Mukhopadhyay, S.M.M, Bohstedt, T, Wang, D, McKinley, G, Fernandez-Cid, A, Duerr, K. | 登録日 | 2023-04-24 | 公開日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structural basis for inhibition of the lysosomal two-pore channel TPC2 by a small molecule antagonist. Structure, 2024
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5Z1N
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![BU of 5z1n by Molmil](/molmil-images/mine/5z1n) | Crystal structure of C terminal region of G-protein interacting protein 1 (Gip1) from Dictyostelium discoideum | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, G-protein interacting protein 1, ... | 著者 | Miyagawa, T, Koteishi, H, Kamimura, Y, Miyanaga, Y, Takeshita, K, Nakagawa, A, Ueda, M. | 登録日 | 2017-12-27 | 公開日 | 2018-10-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.949 Å) | 主引用文献 | Structural basis of Gip1 for cytosolic sequestration of G protein in wide-range chemotaxis Nat Commun, 9, 2018
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5Z25
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![BU of 5z25 by Molmil](/molmil-images/mine/5z25) | Trimeric Alpha-Helix-Inserted Circular Permutant of Cytochrome c555 | 分子名称: | Cytochrome c552, HEME C, TETRAETHYLENE GLYCOL | 著者 | Oda, A, Nagao, S, Yamanaka, M, Ueda, I, Shibata, N, Higuchi, Y, Hirota, S. | 登録日 | 2017-12-28 | 公開日 | 2018-03-07 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Construction of a Triangle-Shaped Trimer and a Tetrahedron Using an alpha-Helix-Inserted Circular Permutant of Cytochrome c555. Chem Asian J, 13, 2018
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5ZET
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![BU of 5zet by Molmil](/molmil-images/mine/5zet) | M. smegmatis P/P state 50S ribosomal subunit | 分子名称: | 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ... | 著者 | Mishra, S, Ahmed, T, Tyagi, A, Shi, J, Bhushan, S. | 登録日 | 2018-02-28 | 公開日 | 2018-09-26 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structures of Mycobacterium smegmatis 70S ribosomes in complex with HPF, tmRNA, and P-tRNA. Sci Rep, 8, 2018
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5Z39
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![BU of 5z39 by Molmil](/molmil-images/mine/5z39) | Crystal structure of C terminal region of G-protein interacting protein 1 (Gip1) from Dictyostelium discoideum form II | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, G-protein interacting protein 1, ... | 著者 | Miyagawa, T, Koteishi, H, Kamimura, Y, Miyanaga, Y, Takeshita, K, Nakagawa, A, Ueda, M. | 登録日 | 2018-01-05 | 公開日 | 2018-10-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Structural basis of Gip1 for cytosolic sequestration of G protein in wide-range chemotaxis Nat Commun, 9, 2018
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8PIA
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![BU of 8pia by Molmil](/molmil-images/mine/8pia) | DNA binding domain of HNF-1A bound to P2-HNF4A promoter DNA variant (P2 -181G>T) | 分子名称: | Chains: E, Chains: F, GLYCEROL, ... | 著者 | Kind, L, Myllykoski, M, Raasakka, A, Kursula, P. | 登録日 | 2023-06-21 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Molecular mechanism of HNF-1A-mediated HNF4A gene regulation and promoter-driven HNF4A-MODY diabetes. JCI Insight, 9, 2024
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8PAV
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![BU of 8pav by Molmil](/molmil-images/mine/8pav) | Crystal structure of MST1 with a MAP4K1 SMOL inhibitor | 分子名称: | 1-[3,5-bis(fluoranyl)-4-[[3-(1,3-thiazol-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, ... | 著者 | Friberg, A. | 登録日 | 2023-06-08 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405 To Be Published
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5ZHC
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![BU of 5zhc by Molmil](/molmil-images/mine/5zhc) | Crystal structure of the PadR-family transcriptional regulator Rv3488 of Mycobacterium tuberculosis H37Rv | 分子名称: | ACETATE ION, CHLORIDE ION, Transcriptional regulator | 著者 | Meera, K, Pal, R.K, Arora, A, Biswal, B.K. | 登録日 | 2018-03-12 | 公開日 | 2018-10-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Structural and functional characterization of the transcriptional regulator Rv3488 ofMycobacterium tuberculosisH37Rv. Biochem. J., 475, 2018
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5Z85
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![BU of 5z85 by Molmil](/molmil-images/mine/5z85) | The structure of azide-bound cytochrome c oxidase determined using the another batch crystals exposed to 20 mM azide solution for 2 days | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | 著者 | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | 登録日 | 2018-01-31 | 公開日 | 2018-08-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity. J. Biol. Chem., 293, 2018
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4FEU
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![BU of 4feu by Molmil](/molmil-images/mine/4feu) | Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor anthrapyrazolone SP600125 | 分子名称: | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ... | 著者 | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2012-05-30 | 公開日 | 2012-06-20 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance. Biochem.J., 454, 2013
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5ZKH
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