4OTA
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1WRQ
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8BHI
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![BU of 8bhi by Molmil](/molmil-images/mine/8bhi) | GABA-A receptor a5 homomer - a5V3 - RO5211223 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, [1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-[6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone | 著者 | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y. | 登録日 | 2022-10-31 | 公開日 | 2023-11-01 | 最終更新日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (2.67 Å) | 主引用文献 | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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2CNE
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![BU of 2cne by Molmil](/molmil-images/mine/2cne) | Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B | 分子名称: | N-({4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}ACETYL)-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE, SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1, ... | 著者 | Ala, P.J, Gonneville, L, Hillman, M, Becker-Pasha, M, Yue, E.W, Douty, B, Wayland, B, Polam, P, Crawley, M.L, McLaughlin, E, Sparks, R.B, Glass, B, Takvorian, A, Combs, A.P, Burn, T.C, Hollis, G.F, Wynn, R. | 登録日 | 2006-05-21 | 公開日 | 2006-09-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural Insights Into the Design of Nonpeptidic Isothiazolidinone-Containing Inhibitors of Protein- Tyrosine Phosphatase 1B. J.Biol.Chem., 281, 2006
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1HZG
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![BU of 1hzg by Molmil](/molmil-images/mine/1hzg) | CRYSTAL STRUCTURE OF THE INACTIVE C866S MUTANT OF THE CATALYTIC DOMAIN OF E. COLI CYTOTOXIC NECROTIZING FACTOR 1 | 分子名称: | CYTOTOXIC NECROTIZING FACTOR 1, PHOSPHATE ION | 著者 | Buetow, L, Flatau, G, Chiu, K, Boquet, P, Ghosh, P. | 登録日 | 2001-01-24 | 公開日 | 2001-07-04 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Structure of the Rho-activating domain of Escherichia coli cytotoxic necrotizing factor 1. Nat.Struct.Biol., 8, 2001
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8BHK
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![BU of 8bhk by Molmil](/molmil-images/mine/8bhk) | GABA-A receptor a5 homomer - a5V3 - Diazepam | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, Gamma-aminobutyric acid receptor subunit alpha-5 | 著者 | Miller, P.S, Malinauskas, T.M, Kasaragod, V.B, Chirgadze, D.Y. | 登録日 | 2022-10-31 | 公開日 | 2023-11-01 | 最終更新日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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1HZS
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![BU of 1hzs by Molmil](/molmil-images/mine/1hzs) | Crystal structure of a peptide nucleic acid duplex (BT-PNA) containing a bicyclic analogue of thymine | 分子名称: | PEPTIDE NUCLEIC ACID | 著者 | Eldrup, A.B, Nielsen, B.B, Haaima, G, Rasmussen, H, Kastrup, J.S, Christensen, C, Nielsen, P.E. | 登録日 | 2001-01-26 | 公開日 | 2001-07-26 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | 1,8-Naphthyridin-2(1H)-ones. Novel Bicyclic and Tricyclic Analogues of Thymine in Peptide Nucleic Acids (PNAs) Eur.J.Org.Chem., 9, 2001
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2J8Q
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![BU of 2j8q by Molmil](/molmil-images/mine/2j8q) | Crystal structure of human cleavage and polyadenylation specificity factor 5 (CPSF5) in complex with a sulphate ion. | 分子名称: | CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR 5, SULFATE ION | 著者 | Moche, M, Stenmark, P, Ogg, D, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg, S.L, Hogbom, M, Johansson, I, Karlberg, T, Kosinska, U, Kotenyova, T, Magnusdottir, A, Nilsson, M.E, Nilsson-Ehle, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Upsten, M, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Welin, M, Nordlund, P. | 登録日 | 2006-10-27 | 公開日 | 2006-11-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The Crystal Structure of Human Cleavage and Polyadenylation Specific Factor-5 Reveals a Dimeric Nudix Protein with a Conserved Catalytic Site. Proteins, 73, 2008
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8BHO
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![BU of 8bho by Molmil](/molmil-images/mine/8bho) | GABA-A receptor a5 homomer - a5V3 - L655708 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, ethyl (7~{S})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate | 著者 | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y. | 登録日 | 2022-10-31 | 公開日 | 2023-11-01 | 最終更新日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (2.93 Å) | 主引用文献 | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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5AF4
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![BU of 5af4 by Molmil](/molmil-images/mine/5af4) | Structure of Lys33-linked diUb | 分子名称: | GLYCEROL, SULFATE ION, UBIQUITIN | 著者 | Michel, M.A, Elliott, P.R, Swatek, K.N, Simicek, M, Pruneda, J.N, Wagstaff, J.L, Freund, S.M.V, Komander, D. | 登録日 | 2015-01-19 | 公開日 | 2015-03-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Assembly and Specific Recognition of K29- and K33-Linked Polyubiquitin. Mol.Cell, 58, 2015
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8BHQ
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![BU of 8bhq by Molmil](/molmil-images/mine/8bhq) | GABA-A receptor a5 homomer - a5V3 - RO7172670 | 分子名称: | 2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]-5-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5 | 著者 | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Kasaragod, V.B. | 登録日 | 2022-10-31 | 公開日 | 2023-11-01 | 最終更新日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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8BHS
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![BU of 8bhs by Molmil](/molmil-images/mine/8bhs) | GABA-A receptor a5 homomer - a5V3 - RO4938581 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[bis(fluoranyl)methyl]-15-bromanyl-2,4,8,9,11-pentazatetracyclo[11.4.0.0^{2,6}.0^{8,12}]heptadeca-1(13),3,5,9,11,14,16-heptaene, Gamma-aminobutyric acid receptor subunit alpha-5 | 著者 | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y. | 登録日 | 2022-10-31 | 公開日 | 2023-11-01 | 最終更新日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | 主引用文献 | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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1SQF
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![BU of 1sqf by Molmil](/molmil-images/mine/1sqf) | The crystal structure of E. coli Fmu binary complex with S-Adenosylmethionine at 2.1 A resolution | 分子名称: | S-ADENOSYLMETHIONINE, SUN protein | 著者 | Foster, P.G, Nunes, C.R, Greene, P, Moustakas, D, Stroud, R.M. | 登録日 | 2004-03-18 | 公開日 | 2004-05-18 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The First Structure of an RNA m5C Methyltransferase,
Fmu, Provides Insight into Catalytic Mechanism
and Specific Binding of RNA Substrate Structure, 11, 2003
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2RB0
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![BU of 2rb0 by Molmil](/molmil-images/mine/2rb0) | 2,6-difluorobenzylbromide complex with T4 lysozyme L99A | 分子名称: | 2-(bromomethyl)-1,3-difluorobenzene, Lysozyme, PHOSPHATE ION | 著者 | Graves, A.P, Boyce, S.E, Shoichet, B.K. | 登録日 | 2007-09-17 | 公開日 | 2008-03-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Rescoring docking hit lists for model cavity sites: predictions and experimental testing. J.Mol.Biol., 377, 2008
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6DM7
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2RBQ
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8BHA
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![BU of 8bha by Molmil](/molmil-images/mine/8bha) | GABA-A receptor a5 homomer - a5V3 - Basmisanil - HR | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Basmisanil, Gamma-aminobutyric acid receptor subunit alpha-5 | 著者 | Malinauskas, T.M, Wahid, A.A, Hardwick, S.W, Chirgadze, D.Y, Miller, P.S. | 登録日 | 2022-10-30 | 公開日 | 2023-11-01 | 最終更新日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (2.67 Å) | 主引用文献 | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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8BHR
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![BU of 8bhr by Molmil](/molmil-images/mine/8bhr) | GABA-A receptor a5 homomer - a5V3 - RO7015738 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide, Gamma-aminobutyric acid receptor subunit alpha-5 | 著者 | Miller, P.S, Malinauskas, T.M, Kasaragod, V.B. | 登録日 | 2022-10-31 | 公開日 | 2023-11-01 | 最終更新日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (3.38 Å) | 主引用文献 | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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4P0D
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![BU of 4p0d by Molmil](/molmil-images/mine/4p0d) | The T6 backbone pilin of serotype M6 Streptococcus pyogenes has a modular three-domain structure decorated with variable loops and extensions | 分子名称: | CALCIUM ION, IODIDE ION, Trypsin-resistant surface T6 protein | 著者 | Young, P.G, Moreland, N.J, Loh, J.M, Bell, A, Atatoa-Carr, P, Proft, T, Baker, E.N. | 登録日 | 2014-02-20 | 公開日 | 2014-08-27 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Conservation, Variability, and Immunogenicity of the T6 Backbone Pilin of Serotype M6 Streptococcus pyogenes. Infect.Immun., 82, 2014
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170D
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![BU of 170d by Molmil](/molmil-images/mine/170d) | SOLUTION STRUCTURE OF A DNA DODECAMER CONTAINING THE ANTI-NEOPLASTIC AGENT ARABINOSYLCYTOSINE: COMBINED USE OF NMR, RESTRAINED MOLECULAR DYNAMICS AND FULL RELAXATION MATRIX REFINEMENT | 分子名称: | DNA/RNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*T)-R(P*CAR)-D(P*GP*CP*G)-3') | 著者 | Schweitzer, B.I, Mikita, T, Kellogg, G.W, Gardner, K.H, Beardsley, G.P. | 登録日 | 1994-03-14 | 公開日 | 1994-07-31 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of a DNA dodecamer containing the anti-neoplastic agent arabinosylcytosine: combined use of NMR, restrained molecular dynamics, and full relaxation matrix refinement. Biochemistry, 33, 1994
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114D
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![BU of 114d by Molmil](/molmil-images/mine/114d) | INOSINE-ADENINE BASE PAIRS IN A B-DNA DUPLEX | 分子名称: | DNA (5'-D(*CP*GP*CP*IP*AP*AP*TP*TP*AP*GP*CP*G)-3') | 著者 | Corfield, P.W.R, Hunter, W.N, Brown, T, Robinson, P, Kennard, O. | 登録日 | 1993-01-04 | 公開日 | 1993-07-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Inosine.adenine base pairs in a B-DNA duplex. Nucleic Acids Res., 15, 1987
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4C71
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![BU of 4c71 by Molmil](/molmil-images/mine/4c71) | Crystal structure of M. tuberculosis C171Q KasA in complex with TLM18 | 分子名称: | (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (R,E)-3-(4-AZIDOBUTYL)-4-HYDROXY-5-METHYL-5-(2-METHYLBUTA-1,3-DIEN-1-YL)THIOPHEN-2(5H)-ONE, 1,2-ETHANEDIOL, ... | 著者 | Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. | 登録日 | 2013-09-19 | 公開日 | 2013-10-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis J.Biol.Chem., 288, 2013
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4CAB
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![BU of 4cab by Molmil](/molmil-images/mine/4cab) | The refined structure of catalase DR1998 from Deinococcus radiodurans at 2.6 A resolution | 分子名称: | CATALASE, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Borges, P.T, Miranda, C.S, Santos, S.P, Frazao, C, Romao, C.V. | 登録日 | 2013-10-08 | 公開日 | 2014-07-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.599 Å) | 主引用文献 | Structure of the Mono-Functional Heme Catalase Dr1998 from Deinococcus Radiodurans FEBS J., 281, 2014
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5OOT
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![BU of 5oot by Molmil](/molmil-images/mine/5oot) | Structure of CHK1 10-pt. mutant complex with aminopyrimido-benzodiazepinone LRRK2 inhibitor | 分子名称: | 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | 登録日 | 2017-08-08 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J. Med. Chem., 60, 2017
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5OP2
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![BU of 5op2 by Molmil](/molmil-images/mine/5op2) | Structure of CHK1 10-pt. mutant complex with arylbenzamide LRRK2 inhibitor | 分子名称: | 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | 登録日 | 2017-08-09 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J. Med. Chem., 60, 2017
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