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6XOH
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BU of 6xoh by Molmil
Structure of SUMO1-ML00789344 adduct bound to SAE
分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
著者Sintchak, M, Lane, W, Bump, N.
登録日2020-07-07
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.226 Å)
主引用文献Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6XOI
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BU of 6xoi by Molmil
Structure of SUMO1-ML00752641 adduct bound to SAE
分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
著者Sintchak, M, Lane, W, Bump, N.
登録日2020-07-07
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
7T1Z
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BU of 7t1z by Molmil
Structure of the Fbw7-Skp1-MycNdegron complex
分子名称: F-box/WD repeat-containing protein 7, Myc proto-oncogene N terminal degron, S-phase kinase-associated protein 1, ...
著者Wang, B, Rusnac, D.V, Clurman, B.E, Zheng, N.
登録日2021-12-02
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Two diphosphorylated degrons control c-Myc degradation by the Fbw7 tumor suppressor.
Sci Adv, 8, 2022
7T1Y
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BU of 7t1y by Molmil
Structure of the Fbw7-Skp1-MycCdegron complex
分子名称: F-box/WD repeat-containing protein 7, Myc proto-oncogene protein C terminal degron, S-phase kinase-associated protein 1, ...
著者Wang, B, Rusnac, D.V, Clurman, B.E, Zheng, N.
登録日2021-12-02
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Two diphosphorylated degrons control c-Myc degradation by the Fbw7 tumor suppressor.
Sci Adv, 8, 2022
8PHI
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BU of 8phi by Molmil
Crystal structure of prefusion-stabilized RSV F Variant DS-Cav1 in complex with Lonafarnib
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, CALCIUM ION, ...
著者Rajak, M, Krey, T.
登録日2023-06-19
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.289 Å)
主引用文献Drug repurposing screen identifies lonafarnib as respiratory syncytial virus fusion protein inhibitor.
Nat Commun, 15, 2024
6X3N
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BU of 6x3n by Molmil
Co-structure of BTK kinase domain with L-005085737 inhibitor
分子名称: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
6X3O
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BU of 6x3o by Molmil
Co-structure of BTK kinase domain with L-005191930 inhibitor
分子名称: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
6X3P
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BU of 6x3p by Molmil
Co-structure of BTK kinase domain with L-005298385 inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ...
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
8HFS
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BU of 8hfs by Molmil
The structure of LcnA, LciA, and the man-PTS of Lactococcus lactis
分子名称: Bacteriocin lactococcin-A, Lactococcin-A immunity protein, Mannose-specific PTS system, ...
著者Wang, J.W.
登録日2022-11-12
公開日2023-02-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structural Basis of the Mechanisms of Action and Immunity of Lactococcin A, a Class IId Bacteriocin.
Appl.Environ.Microbiol., 89, 2023
8PH4
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BU of 8ph4 by Molmil
Co-Crystal structure of the SARS-CoV2 main protease Nsp5 with an Uracil-carrying X77-like inhibitor
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, MALONATE ION, ...
著者Barthel, T, Altincekic, N, Jores, N, Wollenhaupt, J, Weiss, M.S, Schwalbe, H.
登録日2023-06-18
公開日2024-01-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Targeting the Main Protease (M pro , nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies.
Acs Chem.Biol., 19, 2024
4M49
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BU of 4m49 by Molmil
Lactate Dehydrogenase A in complex with a substituted pyrazine inhibitor compound 18
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-(5-amino-6-{[(1R)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2013-08-06
公開日2013-09-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献Identification of 2-amino-5-aryl-pyrazines as inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 23, 2013
7TEO
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BU of 7teo by Molmil
Cryo-EM structure of the 20S Alpha 3 Deletion proteasome core particle in complex with FUB1
分子名称: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-4, ...
著者Walsh Jr, R.M, Rawson, S, Schnell, H.M, Hanna, J.
登録日2022-01-05
公開日2022-08-10
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Yeast PI31 inhibits the proteasome by a direct multisite mechanism.
Nat.Struct.Mol.Biol., 29, 2022
7TEJ
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BU of 7tej by Molmil
Cryo-EM structure of the 20S Alpha 3 Deletion proteasome core particle
分子名称: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-4, ...
著者Walsh Jr, R.M, Rawson, S, Schnell, H.M, Hanna, J.
登録日2022-01-05
公開日2022-08-10
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献Yeast PI31 inhibits the proteasome by a direct multisite mechanism.
Nat.Struct.Mol.Biol., 29, 2022
7X08
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BU of 7x08 by Molmil
S protein of SARS-CoV-2 in complex with 2G1
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, LINOLEIC ACID, ...
著者Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
登録日2022-02-21
公開日2022-03-09
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Broad ultra-potent neutralization of SARS-CoV-2 variants by monoclonal antibodies specific to the tip of RBD.
Cell Discov, 8, 2022
8DOL
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BU of 8dol by Molmil
Mechanism of regulation of the Helicobacter pylori Cagbeta ATPase by CagZ
分子名称: Cag pathogenicity island protein (Cag5), DI(HYDROXYETHYL)ETHER, SULFATE ION
著者Wu, X, Zhao, Y, Yang, W, Sun, L, Ye, X, Jiang, M, Wang, Q, Wang, Q, Zhang, X, Wu, Y.
登録日2022-07-13
公開日2023-02-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanism of regulation of the Helicobacter pylori Cag beta ATPase by CagZ.
Nat Commun, 14, 2023
4ME3
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BU of 4me3 by Molmil
1.8 Angstrom Crystal Structure of the N-terminal Domain of an Archaeal MCM
分子名称: DNA replication licensing factor MCM related protein, ZINC ION
著者Fu, Y, Slaymaker, I.M, Wang, G, Chen, X.S.
登録日2013-08-24
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.794 Å)
主引用文献The 1.8- angstrom Crystal Structure of the N-Terminal Domain of an Archaeal MCM as a Right-Handed Filament.
J.Mol.Biol., 426, 2014
4DOU
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BU of 4dou by Molmil
Crystal Structure of a Single-chain Trimer of Human Adiponectin Globular Domain
分子名称: 1,2-ETHANEDIOL, Adiponectin, CALCIUM ION, ...
著者Min, X, Walker, N.P, Wang, Z.
登録日2012-02-10
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a single-chain trimer of human adiponectin globular domain.
Febs Lett., 586, 2012
8OYP
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BU of 8oyp by Molmil
Crystal structure of Ubiquitin specific protease 11 (USP11) in complex with a substrate mimetic
分子名称: CADMIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Maurer, S.K, Caulton, S.G, Ward, S.J, Emsley, J, Dreveny, I.
登録日2023-05-05
公開日2023-10-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Ubiquitin-specific protease 11 structure in complex with an engineered substrate mimetic reveals a molecular feature for deubiquitination selectivity.
J.Biol.Chem., 299, 2023
1HAA
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BU of 1haa by Molmil
A beta-Hairpin Structure in a 13-mer Peptide that Binds a-Bungarotoxin with High Affinity and Neutralizes its Toxicity
分子名称: ALPHA-BUNGAROTOXIN, PEPTIDE
著者Scherf, T, Kasher, R, Balass, M, Fridkin, M, Fuchs, S, Katchalski-Katzir, E.
登録日2001-04-05
公開日2001-05-25
最終更新日2017-02-08
実験手法SOLUTION NMR
主引用文献A Beta-Hairpin Structure in a 13-mer Peptide that Binds Alpha-Bungarotoxin with High Affinity and Neutralizes its Toxicity
Proc.Natl.Acad.Sci.USA, 98, 2001
1GR5
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BU of 1gr5 by Molmil
Solution Structure of apo GroEL by Cryo-Electron microscopy
分子名称: 60 KDA CHAPERONIN
著者Ranson, N.A, Farr, G.W, Roseman, A.M, Gowen, B, Fenton, W.A, Horwich, A.L, Saibil, H.R.
登録日2001-12-14
公開日2002-01-28
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7.9 Å)
主引用文献ATP-Bound States of Groel Captured by Cryo-Electron Microscopy.
Cell(Cambridge,Mass.), 107, 2001
6WJ5
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BU of 6wj5 by Molmil
Structure of human TRPA1 in complex with inhibitor GDC-0334
分子名称: (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1
著者Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H.
登録日2020-04-11
公開日2021-02-17
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment.
J.Exp.Med., 218, 2021
7LQ7
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BU of 7lq7 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CV503 and COVA1-16
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 heavy chain, COVA1-16 light chain, ...
著者Yuan, M, Zhu, X, Wilson, I.A.
登録日2021-02-13
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Bispecific antibodies targeting distinct regions of the spike protein potently neutralize SARS-CoV-2 variants of concern.
Sci Transl Med, 13, 2021
8HKC
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BU of 8hkc by Molmil
Cryo-EM structure of E. coli RNAP sigma32 complex
分子名称: DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Wu, S, Ma, L.X.
登録日2022-11-25
公開日2023-05-31
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献Structural Insight into the Mechanism of sigma 32-Mediated Transcription Initiation of Bacterial RNA Polymerase.
Biomolecules, 13, 2023
4DCH
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BU of 4dch by Molmil
Insights into Glucokinase Activation Mechanism: Observation of Multiple Distinct Protein Conformations
分子名称: (2R)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
著者Greasley, S.E, Hickey, M, Feng, J, Garcia, E.
登録日2012-01-17
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
4DOM
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BU of 4dom by Molmil
Crystal Structure of the TIR-domain of Human Myeloid Differentiation Primary Response protein (MyD88)
分子名称: Myeloid differentiation primary response protein MyD88
著者Jiang, J.S, Snyder, G.A, Xiao, T.
登録日2012-02-09
公開日2013-04-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Molecular mechanisms for the subversion of MyD88 signaling by TcpC from virulent uropathogenic Escherichia coli.
Proc.Natl.Acad.Sci.USA, 110, 2013

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