5GV5
 
 | | Crystal structure of Candida antarctica Lipase B with active Ser105 modified with a phosphonate inhibitor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase B, ... | | 著者 | Park, S.Y, Lee, H. | | 登録日 | 2016-09-02 | | 公開日 | 2017-09-13 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Structural and Experimental Evidence for the Enantiomeric Recognition toward a Bulky sec-Alcohol by Candida antarctica Lipase B
Acs Catalysis, 6, 2016
|
|
6XNR
 | | Crystal structure of Rhagium Mordax antifreeze protein | | 分子名称: | 1,2-ETHANEDIOL, Antifreeze protein | | 著者 | Ye, Q, Eves, R, Campbell, R.L, Davies, P.L. | | 登録日 | 2020-07-04 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Crystal structure of an insect antifreeze protein reveals ordered waters on the ice-binding surface.
Biochem.J., 477, 2020
|
|
7Z15
 | | E. coli C-P lyase bound to a PhnK/PhnL dual ABC dimer and ADP + Pi | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Alpha-D-ribose 1-methylphosphonate 5-phosphate C-P lyase, ... | | 著者 | Amstrup, S.K, Sofos, N, Karlsen, J.L, Skjerning, R.B, Boesen, T, Enghild, J.J, Hove-Jensen, B, Brodersen, D.E. | | 登録日 | 2022-02-24 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (1.93 Å) | | 主引用文献 | Structural remodelling of the carbon-phosphorus lyase machinery by a dual ABC ATPase.
Nat Commun, 14, 2023
|
|
8JWZ
 | | Crystal structure of A2AR-T4L in complex with AB928 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ... | | 著者 | Weng, Y, Chen, Y, Xu, Y, Song, G. | | 登録日 | 2023-06-29 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
|
|
8BHT
 | | ABCG2 turnover-1 state with tariquidar bound | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL, ... | | 著者 | Yu, Q, Kowal, J, Tajkhorshid, E, Locher, K.P. | | 登録日 | 2022-10-31 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Differential dynamics and direct interaction of bound ligands with lipids in multidrug transporter ABCG2.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
9I4I
 | | High resolution Cryo-EM structure of human complex I in mitochondria | | 分子名称: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Nguyen, M.D, Singh, V, Rorbach, J. | | 登録日 | 2025-01-24 | | 公開日 | 2025-11-12 | | 実験手法 | ELECTRON MICROSCOPY (2.63 Å) | | 主引用文献 | Structural basis for late maturation steps of mitochondrial respiratory chain complex IV within the human respirasome
To Be Published
|
|
7CM4
 | | Crystal Structure of COVID-19 virus spike receptor-binding domain complexed with a neutralizing antibody CT-P59 | | 分子名称: | 1,2-ETHANEDIOL, IgG heavy chain, IgG light chain, ... | | 著者 | Kim, Y.G, Jeong, J.H, Bae, J.S, Lee, J. | | 登録日 | 2020-07-24 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | A therapeutic neutralizing antibody targeting receptor binding domain of SARS-CoV-2 spike protein.
Nat Commun, 12, 2021
|
|
8E34
 | | CryoEM structures of bAE1 captured in multiple states | | 分子名称: | Anion exchange protein | | 著者 | Zhekova, H.R, Wang, W.G, Jiang, J.S, Tsirulnikov, K, Muhammad-Khan, G.H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Tieleman, P, Zhou, Z.H, Pushkin, A, Kurtz, I. | | 登録日 | 2022-08-16 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (6 Å) | | 主引用文献 | CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations.
Commun Biol, 5, 2022
|
|
5JAU
 | |
5MAL
 | |
6RNE
 | | DPP1 in complex with inhibitor | | 分子名称: | (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide, 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 | Kack, H. | | 登録日 | 2019-05-08 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | DPP1 Inhibitors: Exploring the Role of Water in the S2 Pocket of DPP1 with Substituted Pyrrolidines.
Acs Med.Chem.Lett., 10, 2019
|
|
5JAT
 | |
6ZCL
 | | Coxsackievirus B3 in complex with capsid binder compound 17 | | 分子名称: | 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid, MYRISTIC ACID, capsid protein VP1, ... | | 著者 | Domanska, A, Flatt, J.W, Butcher, S.J. | | 登録日 | 2020-06-11 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Identification of a conserved virion-stabilizing network inside the interprotomer pocket of enteroviruses.
Commun Biol, 4, 2021
|
|
7SAN
 | | Crystal structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with (4S,7S)-7-hydroxy-4-((guanin-9-yl)methyl)-2,5-dioxaheptan-1,7-diphosphonate | | 分子名称: | ({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase | | 著者 | Guddat, L.W, Keough, D.T. | | 登録日 | 2021-09-22 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.58155513 Å) | | 主引用文献 | Stereo-Defined Acyclic Nucleoside Phosphonates are Selective and Potent Inhibitors of Parasite 6-Oxopurine Phosphoribosyltransferases.
J.Med.Chem., 65, 2022
|
|
9FLQ
 | | Crystal structure of human Haspin (GSG2) kinase bound to MU1959 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, ... | | 著者 | Kraemer, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2024-06-05 | | 公開日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal structure of human Haspin (GSG2) kinase bound to MU1959
To Be Published
|
|
8BC4
 | | Cryo-EM Structure of a BmSF-TAL - Sulfofructose Schiff Base Complex in symmetry group C1 | | 分子名称: | (2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid, Transaldolase | | 著者 | Snow, A.J.D, Sharma, M, Blaza, J, Davies, G.J. | | 登録日 | 2022-10-14 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-11-20 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Structure and mechanism of sulfofructose transaldolase, a key enzyme in sulfoquinovose metabolism.
Structure, 31, 2023
|
|
8E3J
 | | Co-crystal structure of Chaetomium glucosidase with compound 4 | | 分子名称: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-nitro-4-(pyrimidin-2-yl)anilino]hexyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | | 著者 | Karade, S.S, Mariuzza, R.A. | | 登録日 | 2022-08-17 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
|
|
8E3P
 | | Co-crystal structure of Chaetomium glucosidase with compound 5 | | 分子名称: | (2S,3S,4S,5R)-2-(hydroxymethyl)-1-{6-[3-nitro-5-(pyridin-4-yl)anilino]hexyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | | 著者 | Karade, S.S, Mariuzza, R.A. | | 登録日 | 2022-08-17 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
|
|
8HKS
 | | Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Pamiparib(BGB-290) | | 分子名称: | (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, Poly [ADP-ribose] polymerase 2 | | 著者 | Wang, X.Y, Zhou, J, Xu, B.L. | | 登録日 | 2022-11-28 | | 公開日 | 2024-05-01 | | 最終更新日 | 2025-05-14 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Engaging an engineered PARP-2 catalytic domain mutant to solve the complex structures harboring approved drugs for structure analyses.
Bioorg.Chem., 160, 2025
|
|
8HLR
 | | Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to Fluzoparib (SHR3162) | | 分子名称: | Fluzoparib, Poly [ADP-ribose] polymerase 1, processed C-terminus, ... | | 著者 | Wang, X.Y, Zhou, J, Xu, B.L. | | 登録日 | 2022-11-30 | | 公開日 | 2024-05-01 | | 最終更新日 | 2025-05-14 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Engaging an engineered PARP-2 catalytic domain mutant to solve the complex structures harboring approved drugs for structure analyses.
Bioorg.Chem., 160, 2025
|
|
6EZN
 | | Cryo-EM structure of the yeast oligosaccharyltransferase (OST) complex | | 分子名称: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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 | Wild, R, Kowal, J, Eyring, J, Ngwa, E.M, Aebi, M, Locher, K.P. | | 登録日 | 2017-11-16 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-12-11 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structure of the yeast oligosaccharyltransferase complex gives insight into eukaryotic N-glycosylation.
Science, 359, 2018
|
|
8ECW
 | | Co-crystal structure of Chaetomium glucosidase with compound 11 | | 分子名称: | (2R,3R,4R,5S)-1-{2-[4-(2-{[(5M)-3-chloro-5-(pyridazin-3-yl)phenyl]amino}ethyl)phenyl]ethyl}-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | | 著者 | Karade, S.S, Mariuzza, R.A. | | 登録日 | 2022-09-02 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
|
|
4NI3
 | | Crystal Structure of GH29 family alpha-L-fucosidase from Fusarium graminearum in the closed form | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-fucosidase GH29, ... | | 著者 | Cao, H, Walton, J.D, Brumm, P, Phillips Jr, G.N. | | 登録日 | 2013-11-05 | | 公開日 | 2013-12-25 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.3993 Å) | | 主引用文献 | Structure and Substrate Specificity of a Eukaryotic Fucosidase from Fusarium graminearum.
J.Biol.Chem., 289, 2014
|
|
8XJI
 | | Structure of chimeric RyR complex with flubendiamide | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | | 著者 | Lin, L, Wang, C, Wang, W, Jiang, H, Yuchi, Z. | | 登録日 | 2023-12-21 | | 公開日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3.91 Å) | | 主引用文献 | Cryo-EM structures of ryanodine receptors and diamide insecticides reveal the mechanisms of selectivity and resistance.
Nat Commun, 15, 2024
|
|
3MW2
 | | Crystal structure of beta-neurexin 1 with the splice insert 4 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Neurexin-1-alpha, PHOSPHATE ION | | 著者 | Jin, X, Shapiro, L. | | 登録日 | 2010-05-05 | | 公開日 | 2010-07-28 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Splice Form Dependence of beta-Neurexin/Neuroligin Binding Interactions.
Neuron, 67, 2010
|
|
