6TH7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6th7 by Molmil](/molmil-images/mine/6th7) | |
5KU3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ku3 by Molmil](/molmil-images/mine/5ku3) | BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone) | 分子名称: | 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, Bromodomain-containing protein 4, ... | 著者 | Murray, J.M, Huang, W. | 登録日 | 2016-07-12 | 公開日 | 2016-11-02 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J. Med. Chem., 59, 2016
|
|
4YE1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ye1 by Molmil](/molmil-images/mine/4ye1) | A cytochrome c plus calixarene structure - alternative ligand binding mode | 分子名称: | 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, Cytochrome c iso-1, GLYCEROL, ... | 著者 | Mallon, M.M, McGovern, R.E, McCarty, A.A, Crowley, P.B. | 登録日 | 2015-02-23 | 公開日 | 2015-05-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | A cytochrome c-calixarene structure To Be Published
|
|
3HK9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hk9 by Molmil](/molmil-images/mine/3hk9) | Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Glucuronate | 分子名称: | CARBONATE ION, CHLORIDE ION, D-glucuronic acid, ... | 著者 | Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C. | 登録日 | 2009-05-22 | 公開日 | 2009-08-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily. Biochemistry, 48, 2009
|
|
3HK7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hk7 by Molmil](/molmil-images/mine/3hk7) | Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Arabinarate, monoclinic crystal form | 分子名称: | CARBONATE ION, CHLORIDE ION, D-arabinaric acid, ... | 著者 | Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C. | 登録日 | 2009-05-22 | 公開日 | 2009-08-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily. Biochemistry, 48, 2009
|
|
6X40
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x40 by Molmil](/molmil-images/mine/6x40) | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus picrotoxin | 分子名称: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 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 | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | 登録日 | 2020-05-21 | 公開日 | 2020-09-09 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (2.86 Å) | 主引用文献 | Shared structural mechanisms of general anaesthetics and benzodiazepines. Nature, 585, 2020
|
|
7RKI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rki by Molmil](/molmil-images/mine/7rki) | Griffithsin-S10Y/S42Y/S88Y | 分子名称: | Griffithsin, alpha-D-mannopyranose | 著者 | Sun, J.D, Zhao, G.X. | 登録日 | 2021-07-22 | 公開日 | 2022-05-18 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | C 3 -Symmetric Aromatic Core of Griffithsin Is Essential for Potent Anti-HIV Activity. Acs Chem.Biol., 17, 2022
|
|
8IEC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8iec by Molmil](/molmil-images/mine/8iec) | Cryo-EM structure of miniGo-scFv16 of GPR156-miniGo-scFv16 complex (local refine) | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(o) subunit alpha, ... | 著者 | Shin, J, Park, J, Cho, Y. | 登録日 | 2023-02-15 | 公開日 | 2024-02-14 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | 主引用文献 | Constitutive activation mechanism of a class C GPCR. Nat.Struct.Mol.Biol., 31, 2024
|
|
8IED
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ied by Molmil](/molmil-images/mine/8ied) | Cryo-EM structure of GPR156-miniGo-scFv16 complex | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(o) subunit alpha, ... | 著者 | Shin, J, Park, J, Cho, Y. | 登録日 | 2023-02-15 | 公開日 | 2024-02-14 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (3.33 Å) | 主引用文献 | Constitutive activation mechanism of a class C GPCR. Nat.Struct.Mol.Biol., 31, 2024
|
|
6GVV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gvv by Molmil](/molmil-images/mine/6gvv) | |
5NG5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ng5 by Molmil](/molmil-images/mine/5ng5) | multi-drug efflux; membrane transport; RND superfamily; Drug resistance | 分子名称: | 6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile, Multidrug efflux pump accessory protein AcrZ, Multidrug efflux pump subunit AcrA, ... | 著者 | Wang, Z, Fan, G, Hryc, C.F, Blaza, J.N, Serysheva, I.I, Schmid, M.F, Chiu, W, Luisi, B.F, Du, D. | 登録日 | 2017-03-16 | 公開日 | 2017-04-19 | 最終更新日 | 2017-08-02 | 実験手法 | ELECTRON MICROSCOPY (6.5 Å) | 主引用文献 | An allosteric transport mechanism for the AcrAB-TolC Multidrug Efflux Pump. Elife, 6, 2017
|
|
6W98
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w98 by Molmil](/molmil-images/mine/6w98) | Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria | 分子名称: | 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, CALCIUM ION, ... | 著者 | Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F. | 登録日 | 2020-03-22 | 公開日 | 2020-05-13 | 最終更新日 | 2020-06-03 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria. Mol.Cell, 78, 2020
|
|
7AU0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7au0 by Molmil](/molmil-images/mine/7au0) | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 7) | 分子名称: | Peptidoglycan D,D-transpeptidase FtsI, methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate | 著者 | Newman, H, Bellini, B, Dowson, C.G. | 登録日 | 2020-11-02 | 公開日 | 2021-08-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|
7ATX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7atx by Molmil](/molmil-images/mine/7atx) | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 4) | 分子名称: | 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one, Peptidoglycan D,D-transpeptidase FtsI | 著者 | Newman, H, Bellini, B, Dowson, C.G. | 登録日 | 2020-11-01 | 公開日 | 2021-08-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.795 Å) | 主引用文献 | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|
7AU8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7au8 by Molmil](/molmil-images/mine/7au8) | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 13) | 分子名称: | 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI | 著者 | Newman, H, Bellini, B, Dowson, C.G. | 登録日 | 2020-11-02 | 公開日 | 2021-08-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|
7AU9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7au9 by Molmil](/molmil-images/mine/7au9) | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 14) | 分子名称: | GLYCEROL, N,N-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide, Peptidoglycan D,D-transpeptidase FtsI | 著者 | Newman, H, Bellini, B, Dowson, C.G. | 登録日 | 2020-11-02 | 公開日 | 2021-08-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.137 Å) | 主引用文献 | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|
6UKM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ukm by Molmil](/molmil-images/mine/6ukm) | |
7AUB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aub by Molmil](/molmil-images/mine/7aub) | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 15) | 分子名称: | 2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI | 著者 | Newman, H, Bellini, B, Dowson, C.G. | 登録日 | 2020-11-02 | 公開日 | 2021-08-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.907 Å) | 主引用文献 | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|
7AU1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7au1 by Molmil](/molmil-images/mine/7au1) | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 12) | 分子名称: | 2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Newman, H, Bellini, B, Dowson, C.G. | 登録日 | 2020-11-02 | 公開日 | 2021-08-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|
5J5T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j5t by Molmil](/molmil-images/mine/5j5t) | GLK co-crystal structure with aminopyrrolopyrimidine inhibitor | 分子名称: | 5-[2-(piperidin-4-yl)-1,3-thiazol-5-yl]-3-[(pyridin-4-yl)methoxy]pyridin-2-amine, Mitogen-activated protein kinase kinase kinase kinase 3 | 著者 | Silvian, L.F, Marcotte, D. | 登録日 | 2016-04-03 | 公開日 | 2016-10-26 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Germinal-center kinase-like kinase co-crystal structure reveals a swapped activation loop and C-terminal extension. Protein Sci., 26, 2017
|
|
5JIH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jih by Molmil](/molmil-images/mine/5jih) | Crystal structure of HER2 binding IgG1-Fc (Fcab STAB19) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region | 著者 | Humm, A, Lobner, E, Mlynek, G, Obinger, C, Djinovic-Carugo, K. | 登録日 | 2016-04-22 | 公開日 | 2017-04-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.663 Å) | 主引用文献 | Fcab-HER2 Interaction: a Menage a Trois. Lessons from X-Ray and Solution Studies. Structure, 25, 2017
|
|
6SYE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sye by Molmil](/molmil-images/mine/6sye) | |
5DFR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dfr by Molmil](/molmil-images/mine/5dfr) | |
4X0Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x0y by Molmil](/molmil-images/mine/4x0y) | JC polyomavirus VP1 from a genotype 3 strain | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein, ... | 著者 | Stroh, L.J, Stehle, T. | 登録日 | 2014-11-24 | 公開日 | 2015-04-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity. J.Virol., 89, 2015
|
|
6DB2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6db2 by Molmil](/molmil-images/mine/6db2) | X-ray crystal structure of VioC bound to vanadyl ion, L-homoarginine, and succinate | 分子名称: | 1,2-ETHANEDIOL, Alpha-ketoglutarate-dependent L-arginine hydroxylase, L-HOMOARGININE, ... | 著者 | Dunham, N.P, Mitchell, A.J, Boal, A.K. | 登録日 | 2018-05-02 | 公開日 | 2018-05-16 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance. J. Am. Chem. Soc., 140, 2018
|
|