6D61
 
 | | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142P from Cupriavidus metallidurans in complex with 4-Cl-3-HAA | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, 4-CHLORO-3-HYDROXYANTHRANILIC ACID, ... | | 著者 | Yang, Y, Liu, F, Liu, A. | | 登録日 | 2018-04-19 | | 公開日 | 2018-06-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
J. Biol. Chem., 293, 2018
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2GBG
 | | rat DPP-IV with alkynyl cyanopyrrolidine #2 | | 分子名称: | (1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE, Dipeptidyl peptidase 4, SULFATE ION | | 著者 | Longenecker, K.L, Jakob, C.G, Fry, E.H, Wilk, S. | | 登録日 | 2006-03-10 | | 公開日 | 2006-07-04 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Crystal Structures of DPP-IV (CD26) from Rat Kidney Exhibit Flexible Accommodation of Peptidase-Selective Inhibitors.
Biochemistry, 45, 2006
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6QO1
 | | Crystal structure of Borrelia (Borreliella) burgdorferi outer surface protein BBA69 | | 分子名称: | Putative surface protein | | 著者 | Brangulis, K, Akopjana, I, Petrovskis, I, Kazaks, A, Tars, K. | | 登録日 | 2019-02-12 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Crystal structure of Borrelia burgdorferi outer surface protein BBA69 in comparison to the paralogous protein CspA.
Ticks Tick Borne Dis, 10, 2019
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6QOH
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 11 (2-Amino-6-chloropurine) | | 分子名称: | 6-chloroguanine, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | 登録日 | 2019-02-12 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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5DG2
 | | Sugar binding protein - human galectin-2 (dimer) | | 分子名称: | Galectin-2, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Su, J.Y, Si, Y.L. | | 登録日 | 2015-08-27 | | 公開日 | 2016-09-14 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.612 Å) | | 主引用文献 | Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination.
Acta Biochim. Biophys. Sin. (Shanghai), 48, 2016
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6QOO
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 18 (Isoxazole-5-carbothioamide) | | 分子名称: | 1,2-oxazole-5-carbothioamide, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | 登録日 | 2019-02-12 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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6QOU
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 24 (Indole-6-boronic acid) | | 分子名称: | 1~{H}-indol-6-ylboronic acid, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | 登録日 | 2019-02-12 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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6QOG
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 10 (2-Amino-5-bromobenzothiazole) | | 分子名称: | 5-bromanyl-1,3-benzothiazol-2-amine, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | 登録日 | 2019-02-12 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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6DBC
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6QU2
 | | Crystal structure of DYRK1A complexed with FC162 inhibitor | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one, DIMETHYL SULFOXIDE, ... | | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2019-02-26 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structure of DYRK1A complexed with FC162 inhibitor
To Be Published
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6QRE
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | | 分子名称: | (3-methoxyphenyl)methyl 1~{H}-pyrazole-4-carboxylate, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | 登録日 | 2019-02-19 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
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6DCJ
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2G0I
 | | Crystal structure of SMU.848 from Streptococcus mutans | | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, hypothetical protein SMU.848 | | 著者 | Hou, H.-F, Gao, Z.-Q, Li, L.-F, Liang, Y.-H, Su, X.-D, Dong, Y.-H. | | 登録日 | 2006-02-13 | | 公開日 | 2006-08-08 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal structure of SMU.848 from Streptococcus mutans
To be Published
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3HEO
 | | Ferric Horse Heart Myoglobin; H64V/V67R mutant, Nitrite Modified | | 分子名称: | Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Yi, J, Thomas, L.M, Richter-Addo, G.B. | | 登録日 | 2009-05-09 | | 公開日 | 2009-12-29 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The distal pocket histidine residue in horse heart myoglobin directs the o-binding mode of nitrite to the heme iron.
J.Am.Chem.Soc., 131, 2009
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6DD0
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6QNN
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6QNP
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6QO3
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 2 (5-Amino-3-(2-thienyl) pyrazole) | | 分子名称: | 3-thiophen-2-yl-1H-pyrazol-5-amine, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | 登録日 | 2019-02-12 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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6QO6
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 4 (5-Methoxybenzimidazole) | | 分子名称: | 5-METHOXYBENZIMIDAZOLE, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | 登録日 | 2019-02-12 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.745 Å) | | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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6QOA
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 5 (Isoxazole-5-carboxamide) | | 分子名称: | 1,2-oxazole-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | 登録日 | 2019-02-12 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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6QOF
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 9 (Adenine) | | 分子名称: | 1,2-ETHANEDIOL, ADENINE, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | 登録日 | 2019-02-12 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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4OZC
 | | Backbone Modifications in the Protein GB1 Helix and Loops: beta-ACPC21, beta-ACPC24, beta-3-Lys28, beta-3-Lys31, beta-ACPC35, beta-ACPC40 | | 分子名称: | GLYCEROL, SULFATE ION, Streptococcal Protein GB1 Backbone Modified Variant: beta-ACPC21, ... | | 著者 | Reinert, Z.E, Horne, W.S. | | 登録日 | 2014-02-14 | | 公開日 | 2014-07-16 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | | 主引用文献 | Folding Thermodynamics of Protein-Like Oligomers with Heterogeneous Backbones.
Chem Sci, 5, 2014
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6QOM
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 16 (2-Amino-3-nitropyridine) | | 分子名称: | 3-nitropyridin-2-amine, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | 登録日 | 2019-02-12 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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6QMR
 | | Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid | | 分子名称: | 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid, Complement factor D | | 著者 | Karki, R, Powers, J, Mainolfi, N, Anderson, K, Belanger, D, Liu, D, Jendza, K, Gelin, C.F, Solovay, C, Mac Sweeeny, A, Delgado, O, Crowley, M, Liao, S.-M, Argikar, U.A, Flohr, S, La Bonte, L.R, Lorthiois, E.L, Vulpetti, A, Cumin, F, Brown, A, Adams, C, Jaffee, B, Mogi, M. | | 登録日 | 2019-02-08 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway.
J.Med.Chem., 62, 2019
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6QOT
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 23 (3-Amino-5-(4-methoxyphenyl)pyrazole) | | 分子名称: | 1,2-ETHANEDIOL, 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | 登録日 | 2019-02-12 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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