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PDB: 53012 件
7GNA
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BU of 7gna by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-4483ae88-4 (Mpro-P2415)
分子名称: (4S)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
4X3C
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TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-NICOTINAMIDE HYBRID INHIBITOR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
著者Pesaresi, A, Lamba, D.
登録日2014-11-28
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-NICOTINAMIDE HYBRID INHIBITOR
To Be Published
7GNQ
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BU of 7gnq by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with NIR-WEI-dcc3321b-6 (Mpro-P2916)
分子名称: (4S)-2-[2-(4-acetamidoanilino)-2-oxoethyl]-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.531 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
8C4H
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BU of 8c4h by Molmil
CryoEM structure of the Hendra henipavirus nucleocapsid sauronoid assembly multimer
分子名称: Nucleocapsid, RNA (84-MER)
著者Passchier, T.C, Maskell, D.P, Edwards, T.A, Barr, J.N.
登録日2023-01-04
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (3.485 Å)
主引用文献The cryoEM structure of the Hendra henipavirus nucleoprotein reveals insights into paramyxoviral nucleocapsid architectures.
Sci Rep, 14, 2024
7PWF
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Cryo-EM structure of small subunit of Giardia lamblia ribosome at 2.9 A resolution
分子名称: 40S ribosomal protein S21, 40S ribosomal protein S25, 40S ribosomal protein S26, ...
著者Hiregange, D.G, Rivalta, A, Bose, T, Breiner-Goldstein, E, Samiya, S, Cimicata, G, Kulakova, L, Zimmerman, E, Bashan, A, Herzberg, O, Yonath, A.
登録日2021-10-06
公開日2022-05-25
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Cryo-EM structure of the ancient eukaryotic ribosome from the human parasite Giardia lamblia.
Nucleic Acids Res., 50, 2022
7GI5
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BU of 7gi5 by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with BRU-THA-92256091-17 (Mpro-P0053)
分子名称: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
6FW3
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BU of 6fw3 by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-007
分子名称: 1,2-ETHANEDIOL, 1-(2-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Brown, D.G.
登録日2018-03-05
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-007
To be published
7GIM
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BU of 7gim by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-UNI-3735e77e-2 (Mpro-P0111)
分子名称: (4R)-6,8-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GJ1
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BU of 7gj1 by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with VLA-UNK-82501c2c-1 (Mpro-P0153)
分子名称: 2-(3,4-dichlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GJH
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BU of 7gjh by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with BEN-DND-f2e727cd-5 (Mpro-P0240)
分子名称: (4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GJX
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BU of 7gjx by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-3ccb8ef6-1 (Mpro-P0744)
分子名称: (4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GKE
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BU of 7gke by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-dd3ad2b5-3 (Mpro-P0851)
分子名称: (4S)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
4YEB
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BU of 4yeb by Molmil
Structural characterization of a synaptic adhesion complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fibronectin leucine rich transmembrane protein 3, ...
著者Ranaivoson, F.M, Liu, Q, Martini, F, Bergami, F, von Daake, S, Li, S, Lee, D, Demeler, B, Hendrickson, W.A, Comoletti, D.
登録日2015-02-23
公開日2015-08-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Structural and Mechanistic Insights into the Latrophilin3-FLRT3 Complex that Mediates Glutamatergic Synapse Development.
Structure, 23, 2015
6XV3
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BU of 6xv3 by Molmil
CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 3
分子名称: 3-methyl-6-[6-[(3~{S})-3-methylmorpholin-4-yl]-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine, Bromodomain-containing protein 4
著者Bader, G, Kessler, D, Wolkerstorfer, B.
登録日2020-01-21
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020
6BHQ
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BU of 6bhq by Molmil
Mouse Immunoglobulin G 2c Fc fragment with complex-type glycan
分子名称: GLYCEROL, Igh protein, beta-D-galactopyranose-(1-4)-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)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Falconer, D, Barb, A.
登録日2017-10-31
公開日2018-02-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Mouse IgG2c Fc loop residues promote greater receptor-binding affinity than mouse IgG2b or human IgG1.
PLoS ONE, 13, 2018
7GKU
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BU of 7gku by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-4223bc15-40 (Mpro-P1079)
分子名称: (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.866 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
6N6E
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BU of 6n6e by Molmil
Vibrio cholerae Oligoribonuclease bound to pGA
分子名称: RNA (5'-R(P*GP*A)-3'), RNA exonuclease 2 homolog,Small fragment nuclease, SODIUM ION
著者Lormand, J.D, Sondermann, H.
登録日2018-11-26
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.578 Å)
主引用文献A dedicated diribonucleotidase resolves a key bottleneck for the terminal step of RNA degradation.
Elife, 8, 2019
7GLA
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BU of 7gla by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-86c60949-2 (Mpro-P1812)
分子名称: (4R)-6-chloro-N-[6-(2-hydroxypropan-2-yl)isoquinolin-4-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.684 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
8DFC
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CryoEM structure of the 1:1 ADP-tetrafluoroaluminate stabilized nitrogenase complex from Azotobacter vinelandii
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, ...
著者Warmack, R.A, Rees, D.C.
登録日2022-06-21
公開日2023-06-28
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献Anaerobic cryoEM protocols for air-sensitive nitrogenase proteins.
Nat Protoc, 2024
6XYD
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Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi
分子名称: CHLORIDE ION, MAGNESIUM ION, SODIUM ION, ...
著者Roske, Y, Heinemann, U, Andrea, E.D.
登録日2020-01-30
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi.
J.Struct.Biol., 211, 2020
6PL4
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BU of 6pl4 by Molmil
TRK-A IN COMPLEX WITH LIGAND 1
分子名称: High affinity nerve growth factor receptor, N-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-N'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea
著者Subramanian, G, Brown, D.G.
登録日2019-06-30
公開日2020-07-01
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献In Pursuit of an Allosteric Human Tropomyosin Kinase A (hTrkA) Inhibitor for Chronic Pain
Acs Med.Chem.Lett., 2021
6VCF
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Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, iron form
分子名称: BICARBONATE ION, CHLORIDE ION, FE (II) ION, ...
著者Daruwalla, A, Shi, W, Kiser, P.D.
登録日2019-12-20
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.687 Å)
主引用文献Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Proc.Natl.Acad.Sci.USA, 117, 2020
8FJD
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Structure of chlorophyllase from Triticum aestivum
分子名称: CALCIUM ION, Chlorophyllase
著者Boggs, D, Jo, M, Bridwell-Rabb, J.
登録日2022-12-19
公開日2023-02-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (4.46 Å)
主引用文献A structure-function analysis of chlorophyllase reveals a mechanism for activity regulation dependent on disulfide bonds.
J.Biol.Chem., 299, 2023
8CTM
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BU of 8ctm by Molmil
Crystal structure of the nucleoside hydrolase from Leishmania donovani.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Chen, Y, Tolbert, W.D, Pazgier, M.
登録日2022-05-16
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structure of the nucleoside hydrolase from Leishmania donovani.
To Be Published
8DFD
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CryoEM structure of the 2:1 ADP-tetrafluoroaluminate stabilized nitrogenase complex from Azotobacter vinelandii
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, ...
著者Warmack, R.A, Rees, D.C.
登録日2022-06-21
公開日2023-06-28
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (2.12 Å)
主引用文献Anaerobic cryoEM protocols for air-sensitive nitrogenase proteins.
Nat Protoc, 2024

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