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8S07
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A fragment-based inhibitor of SHP2
分子名称: 7-azanyl-N-pyridin-3-yl-3H-pyrrolo[3,2-b]pyridine-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Cleasby, A, Price, A.
登録日2024-02-13
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S0I
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A fragment-based inhibitor of SHP2
分子名称: 3-phenyl-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-14
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.929 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8C7T
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BU of 8c7t by Molmil
Unliganded transcriptional pleiotropic repressor CodY from Enterococcus faecalis
分子名称: GTP-sensing transcriptional pleiotropic repressor CodY
著者Hainzl, T, Sauer-Eriksson, A.E.
登録日2023-01-17
公開日2023-06-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural insights into CodY activation and DNA recognition.
Nucleic Acids Res., 51, 2023
5K3E
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BU of 5k3e by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Glycolate - Cocrystallized
分子名称: CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID
著者Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F.
登録日2016-05-19
公開日2017-02-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
6HSE
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BU of 6hse by Molmil
Structure of dithionite-reduced RsrR in spacegroup P2(1)
分子名称: FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, Rrf2 family transcriptional regulator, ...
著者Volbeda, A, Fontecilla-Camps, J.C.
登録日2018-10-01
公開日2019-01-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the Transcription Regulator RsrR Reveals a [2Fe-2S] Cluster Coordinated by Cys, Glu, and His Residues.
J. Am. Chem. Soc., 141, 2019
8SCA
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BU of 8sca by Molmil
Rec3 Domain from S. pyogenes Cas9
分子名称: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1
著者D'Ordine, A.M, Skeens, E, Lisi, G.P, Jogl, G.
登録日2023-04-05
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献High-fidelity, hyper-accurate, and evolved mutants rewire atomic-level communication in CRISPR-Cas9.
Sci Adv, 10, 2024
8S0Q
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A fragment-based inhibitor of SHP2
分子名称: (1S,5R)-8-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-14
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.872 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8HW1
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Far-red light-harvesting complex of Antarctic alga Prasiola crispa
分子名称: (1S)-4-[(1E,3Z,5E,7E,9E,11E,13E,15E,17E)-3-(hydroxymethyl)-7,12,16-trimethyl-18-[(1R,4S)-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, CHLOROPHYLL A, ...
著者Kosugi, M, Kawasaki, M, Shibata, Y, Moriya, T, Adachi, N, Senda, T.
登録日2022-12-28
公開日2023-01-18
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Uphill energy transfer mechanism for photosynthesis in an Antarctic alga.
Nat Commun, 14, 2023
8RZY
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BU of 8rzy by Molmil
A fragment-based inhibitor of SHP2
分子名称: 1H-pyrrolo[3,2-b]pyridin-5-amine, DIMETHYL SULFOXIDE, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-13
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S0H
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BU of 8s0h by Molmil
A fragment-based inhibitor of SHP2
分子名称: 5-(aminomethyl)-N-(3-chloranyl-1-methyl-indol-7-yl)-1,3-dihydroisoindole-2-sulfonamide, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-14
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S0J
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BU of 8s0j by Molmil
A fragment-based inhibitor of SHP2
分子名称: 3-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-14
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
2H47
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BU of 2h47 by Molmil
Crystal Structure of an Electron Transfer Complex Between Aromatic Amine Dephydrogenase and Azurin from Alcaligenes Faecalis (Form 1)
分子名称: Aromatic Amine Dehydrogenase, Azurin, COPPER (II) ION
著者Sukumar, N, Chen, Z, Leys, D, Scrutton, N.S, Ferrati, D, Merli, A, Rossi, G.L, Bellamy, H.D, Chistoserdov, A, Davidson, V.L, Mathews, F.S.
登録日2006-05-23
公開日2006-11-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of an Electron Transfer Complex between Aromatic Amine Dehydrogenase and Azurin from Alcaligenes faecalis.
Biochemistry, 45, 2006
6TUN
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BU of 6tun by Molmil
Helicase domain complex
分子名称: CDK-activating kinase assembly factor MAT1, CHLORIDE ION, General transcription and DNA repair factor IIH helicase subunit XPD
著者Sauer, F, Kisker, C.
登録日2020-01-07
公開日2020-11-11
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献In TFIIH the Arch domain of XPD is mechanistically essential for transcription and DNA repair.
Nat Commun, 11, 2020
7MRL
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BU of 7mrl by Molmil
Structure of HIV-1 matrix domain bound to human tRNALys3
分子名称: HIV-1 matrix domain, MAGNESIUM ION, tRNA Lys3
著者Bou-Nader, C, Zhang, J.
登録日2021-05-07
公開日2021-08-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献HIV-1 matrix-tRNA complex structure reveals basis for host control of Gag localization.
Cell Host Microbe, 29, 2021
8C13
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BU of 8c13 by Molmil
Crystal structure of pVHL:ElonginC:ElonginB complex bound to PROTAC JW48
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-[3-[2-[2-[2-(acetamidomethyl)-4-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-2-yl)phenoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Kraemer, A, Weckesser, J, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-12-20
公開日2022-12-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023
6WCW
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BU of 6wcw by Molmil
Structure of human Rubicon RH domain in complex with GTP-bound Rab7
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-7a, ...
著者Bhargava, H.K, Byck, J.M, Farrell, D.P, Anishchenko, I, DiMaio, F, Im, Y.J, Hurley, J.H.
登録日2020-03-31
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for autophagy inhibition by the human Rubicon-Rab7 complex.
Proc.Natl.Acad.Sci.USA, 117, 2020
6WEO
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BU of 6weo by Molmil
IL-22 Signaling Complex with IL-22R1 and IL-10Rbeta
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Saxton, R.A, Jude, K.M, Henneberg, L.T, Garcia, K.C.
登録日2020-04-02
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The tissue protective functions of interleukin-22 can be decoupled from pro-inflammatory actions through structure-based design.
Immunity, 54, 2021
6O9Z
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BU of 6o9z by Molmil
Electron cryo-microscopy of the eukaryotic translation initiation factor 2B bound to eukaryotic translation initiation factor 2 from Homo sapiens
分子名称: Eukaryotic translation initiation factor 2 subunit 1, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ...
著者Nguyen, H.C, Kenner, L.R, Frost, A.S.
登録日2019-03-15
公開日2019-05-15
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献eIF2B-catalyzed nucleotide exchange and phosphoregulation by the integrated stress response.
Science, 364, 2019
6OAO
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BU of 6oao by Molmil
Structure of DBP in complex with human neutralizing antibody 092096
分子名称: Antibody 092096 single chain variable fragment, Duffy binding surface protein region II, SULFATE ION
著者Urusova, D, Tolia, N.H.
登録日2019-03-18
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.497 Å)
主引用文献Structural basis for neutralization of Plasmodium vivax by naturally acquired human antibodies that target DBP.
Nat Microbiol, 4, 2019
8Q8B
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BU of 8q8b by Molmil
Crystal structure of Apis mellifera glutathione transferase delta 1, mutant C127S
分子名称: Glutathione S-transferase D1 isoform X1, SULFATE ION
著者Schwartz, M, Neiers, F.
登録日2023-08-18
公開日2023-10-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-activity analysis suggests an olfactory function for the unique antennal delta glutathione transferase of Apis mellifera.
Febs Lett., 597, 2023
8Q4H
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BU of 8q4h by Molmil
a membrane-bound menaquinol:organohalide oxidoreductase complex RDH complex
分子名称: (~{Z})-1,2-bis(chloranyl)ethene, CO-METHYLCOBALAMIN, IRON/SULFUR CLUSTER, ...
著者Dongchun, N, Ekundayo, B, Henning, S, Julien, M, Holliger, C, Cimmino, L.
登録日2023-08-07
公開日2023-10-18
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Structure of a membrane-bound menaquinol:organohalide oxidoreductase.
Nat Commun, 14, 2023
6JY4
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Monomeric Form of Bovine Heart Cytochrome c Oxidase in the Fully Reduced State
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (2S,3S,4S,5S,6R)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol, ...
著者Shinzawa-Itoh, K, Muramoto, K.
登録日2019-04-26
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Monomeric structure of an active form of bovine cytochromecoxidase.
Proc.Natl.Acad.Sci.USA, 116, 2019
8Q8A
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BU of 8q8a by Molmil
Crystal structure of Apis mellifera glutathione transferase delta 1, mutant M126L
分子名称: Glutathione S-transferase D1 isoform X1, SULFATE ION
著者Schwartz, M, Neiers, F.
登録日2023-08-18
公開日2023-10-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-activity analysis suggests an olfactory function for the unique antennal delta glutathione transferase of Apis mellifera.
Febs Lett., 597, 2023
8Q89
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Crystal structure of Apis mellifera glutathione transferase delta 1 in a covalent dimeric state
分子名称: Glutathione S-transferase D1 isoform X1
著者Schwartz, M, Neiers, F.
登録日2023-08-18
公開日2023-10-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-activity analysis suggests an olfactory function for the unique antennal delta glutathione transferase of Apis mellifera.
Febs Lett., 597, 2023
5LZP
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BU of 5lzp by Molmil
Binding of the C-terminal GQYL motif of the bacterial proteasome activator Bpa to the 20S proteasome
分子名称: Bacterial proteasome activator, Proteasome subunit alpha, Proteasome subunit beta
著者Bolten, M, Delley, C.L, Leibundgut, M, Boehringer, D, Ban, N, Weber-Ban, E.
登録日2016-09-30
公開日2016-11-23
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural Analysis of the Bacterial Proteasome Activator Bpa in Complex with the 20S Proteasome.
Structure, 24, 2016

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件を2024-07-17に公開中

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