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PDB: 89111 件

5HBJ
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BU of 5hbj by Molmil
CDK8-CYCC IN COMPLEX WITH 8-[2-Amino-3-chloro-5-(1-methyl-1H-indazol-5-yl)-pyridin-4-yl]-2,8-diaza-spiro[4.5]decan-1-one
分子名称: 1,2-ETHANEDIOL, 8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, ...
著者Musil, D, Blagg, J, Mallinger, A.
登録日2015-12-31
公開日2016-02-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
4S3R
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BU of 4s3r by Molmil
Amylomaltase MalQ from Escherichia coli in complex with the pseudo-heptasaccharide acarviosine-glucose-acarbose
分子名称: 1,2-ETHANEDIOL, 4-alpha-glucanotransferase, ACARBOSE DERIVED HEPTASACCHARIDE
著者Weiss, S.C, Schiefner, A.
登録日2015-03-26
公開日2015-07-08
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for the Interconversion of Maltodextrins by MalQ, the Amylomaltase of Escherichia coli.
J.Biol.Chem., 290, 2015
5HCT
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BU of 5hct by Molmil
Endothiapepsin in complex with biacylhydrazone
分子名称: 1,2-ETHANEDIOL, 2-amino-N'-{3-[(E)-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1H-indol-2-yl)propanehydrazide (non-preferred name), ACETATE ION, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2016-01-04
公開日2016-07-20
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment-Based Drug Design Facilitated by Dynamic Combinatorial Chemistry.
Angew.Chem.Int.Ed.Engl., 55, 2016
6YTS
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BU of 6yts by Molmil
Solution NMR structure of type-I ribosome-inactivating protein trichobakin (TBK)
分子名称: Trichobakin
著者Britikov, V.V, Bocharov, E.V, Britikova, E.V, Le, T.B.T, Phan, C.V, Boyko, K.M, Arseniev, A.S, Usanov, S.A.
登録日2020-04-24
公開日2020-05-06
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structure and dynamics of type-I ribosome-inactivating protein trichobakin (TBK)
To Be Published
7RZU
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BU of 7rzu by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with A942S mutation
分子名称: SARS-CoV-2 HR1 A942S linked to a scaffold,Spike protein S2', Spike protein S2'
著者Yang, K, Brunger, A.T.
登録日2021-08-27
公開日2022-04-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
6Z0G
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BU of 6z0g by Molmil
Structure of TREM2 transmembrane helix in DPC micelles
分子名称: Triggering receptor expressed on myeloid cells 2
著者Steiner, A, Schlepkow, K, Brunner, B, Steiner, H, Haass, C, Hagn, F.
登録日2020-05-08
公開日2020-09-16
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献gamma-Secretase cleavage of the Alzheimer risk factor TREM2 is determined by its intrinsic structural dynamics.
Embo J., 39, 2020
7RZS
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BU of 7rzs by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with L938F mutation
分子名称: SARS-CoV-2 HR1 L938F linked to a scaffold,Spike protein S2', Spike protein S2'
著者Yang, K, Brunger, A.T.
登録日2021-08-27
公開日2022-04-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.52 Å)
主引用文献Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
6Y02
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BU of 6y02 by Molmil
Thrombin in complex with 13k
分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Sandner, A, Heine, A, Klebe, G, Abazi, N.
登録日2020-02-06
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Thrombin in complex with 13k
To be published
7RZR
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BU of 7rzr by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with D936Y mutation
分子名称: SARS-CoV-2 HR1 D936Y linked to a scaffold,Spike protein S2', Spike protein S2'
著者Yang, K, Brunger, A.T.
登録日2021-08-27
公開日2022-04-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.27 Å)
主引用文献Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
8ATH
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BU of 8ath by Molmil
CRYSTAL STRUCTURE OF LAMP1 IN COMPLEX WITH FAB-B.
分子名称: Fab B Heavy Chain, Fab B Light Chain, Lysosome-associated membrane glycoprotein 1
著者Mathieu, M, Dupuy, A.
登録日2022-08-23
公開日2023-03-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.366 Å)
主引用文献Deciphering cross-species reactivity of LAMP-1 antibodies using deep mutational epitope mapping and AlphaFold.
Mabs, 15, 2023
6Z0I
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BU of 6z0i by Molmil
Structure of the TREM2 transmembrane helix in complex with DAP12 in DPC micelles
分子名称: Triggering receptor expressed on myeloid cells 2
著者Steiner, A, Schlepkow, K, Brunner, B, Steiner, H, Haass, C, Hagn, F.
登録日2020-05-08
公開日2020-09-16
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献gamma-Secretase cleavage of the Alzheimer risk factor TREM2 is determined by its intrinsic structural dynamics.
Embo J., 2020
7BOD
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BU of 7bod by Molmil
Bacterial 30S ribosomal subunit assembly complex state M (body domain)
分子名称: 16S rRNA (body domain of 30S subunit), 30S ribosomal protein S11, 30S ribosomal protein S12, ...
著者Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Lopez-Alonso, J, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.R.
登録日2021-01-25
公開日2021-07-07
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
6FVE
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BU of 6fve by Molmil
Macrophage Migration Inhibitory Factor (MIF) with Covalently Bound FITC
分子名称: 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(E)-(sulfanylmethylidene)amino]benzoic acid, Macrophage migration inhibitory factor, SULFATE ION
著者Samygina, V.R, Bourenkov, G, Sokolov, A.V.
登録日2018-03-02
公開日2018-06-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structural Study of the Complex Formed by Ceruloplasmin and Macrophage Migration Inhibitory Factor.
Biochemistry Mosc., 83, 2018
6Z0H
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BU of 6z0h by Molmil
Structure of TREM2 transmembrane helix K186A variant in DPC micelles
分子名称: Triggering receptor expressed on myeloid cells 2
著者Steiner, A, Schlepkow, K, Brunner, B, Steiner, H, Haass, C, Hagn, F.
登録日2020-05-08
公開日2020-09-16
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献gamma-Secretase cleavage of the Alzheimer risk factor TREM2 is determined by its intrinsic structural dynamics.
Embo J., 39, 2020
7RZT
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BU of 7rzt by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with S940F mutation
分子名称: SARS-CoV-2 HR1 S940F linked to a scaffold,Spike protein S2', Spike protein S2'
著者Yang, K, Brunger, A.T.
登録日2021-08-27
公開日2022-04-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.35 Å)
主引用文献Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
6APK
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BU of 6apk by Molmil
Trans-acting transferase from Disorazole synthase solved by serial femtosecond XFEL crystallography
分子名称: DisD protein
著者Lyubimov, A.Y, Mathews, I.I, Uervivojnangkoorn, M, Khosla, C, Soltis, S.M, Cohen, A.E.
登録日2017-08-17
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Conformational Flexibility of the Acyltransferase from the Disorazole Polyketide Synthase Is Revealed by an X-ray Free-Electron Laser Using a Room-Temperature Sample Delivery Method for Serial Crystallography.
Biochemistry, 56, 2017
7RZV
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BU of 7rzv by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with V1176F mutation
分子名称: SARS-CoV-2 HR1 linked to a scaffold,Spike protein S2', Spike protein S2'
著者Yang, K, Brunger, A.T.
登録日2021-08-27
公開日2022-04-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.11 Å)
主引用文献Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
8SHR
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BU of 8shr by Molmil
Crystal Structure of PRMT3 with Compound YD1-214
分子名称: 5'-S-[2-(phenylcarbamamido)ethyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3
著者Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2023-04-14
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal Structure of PRMT3 with Compound YD1-214
To be published
6UEK
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BU of 6uek by Molmil
Structure of Urocanate Hydratase from Trypanosoma cruzi in complex with NAD+
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Urocanate hydratase
著者Boreiko, S, Silva, M, Melo, R.F.P, Silber, A.M, Iulek, J.
登録日2019-09-21
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure of Urocanate Hydratase from the protozoan Trypanosoma cruzi.
Int.J.Biol.Macromol., 146, 2019
7N4F
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BU of 7n4f by Molmil
Ni-bound crystal structure of the engineered cyt cb562 variant, AB2-H100A, crystallized in the presence of Ni(II)
分子名称: HEME C, NICKEL (II) ION, Soluble cytochrome b562
著者Choi, T.S, Tezcan, F.A.
登録日2021-06-04
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Overcoming universal restrictions on metal selectivity by protein design.
Nature, 603, 2022
7RZQ
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BU of 7rzq by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex
分子名称: SARS-CoV-2 HR1 linked to a scaffold,Spike protein S2', Spike protein S2'
著者Yang, K, Brunger, A.T.
登録日2021-08-27
公開日2022-04-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.09 Å)
主引用文献Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
5HEM
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BU of 5hem by Molmil
Crystal structure of the N-terminus D161Y bromodomain mutant of human BRD2
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Bromodomain-containing protein 2, ...
著者Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
登録日2016-01-06
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the N-terminus D161Y bromodomain mutant of human BRD2
To Be Published
7N4G
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BU of 7n4g by Molmil
Co-bound crystal structure of the engineered cyt cb562 variant, AB2-H100A, crystallized in the presence of Co(II)
分子名称: COBALT (II) ION, HEME C, Soluble cytochrome b562
著者Choi, T.S, Tezcan, F.A.
登録日2021-06-04
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Overcoming universal restrictions on metal selectivity by protein design.
Nature, 603, 2022
5IAK
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BU of 5iak by Molmil
Caspase 3 V266S
分子名称: ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-21
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
7VJY
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BU of 7vjy by Molmil
Crystal Structure of Sars-Cov-2 Mpro at 1.90 A resolution-1
分子名称: 3C-like proteinase
著者DeMirci, H, Johnson, A.J.
登録日2021-09-29
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography
Crystals, 11, 2021

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件を2024-09-11に公開中

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