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1D5J
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BU of 1d5j by Molmil
CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A THIAZEPINE BASED INHIBITOR.
分子名称: CALCIUM ION, N-HYDROXY-4-[(4-METHOXYLPHENYL)SULFONYL]-2,2-DIMETHYL-HEXAHYDRO-1,4-THIAZEPINE-3(S)-CARBOXAMIDE, STROMELYSIN-1, ...
著者Almstead, N.G, Bradley, R.S, Pikul, S, De, B, Natchus, M.G.
登録日1999-10-07
公開日2000-10-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design, synthesis, and biological evaluation of potent thiazine- and thiazepine-based matrix metalloproteinase inhibitors.
J.Med.Chem., 42, 1999
6OPO
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BU of 6opo by Molmil
Symmetric model of CD4- and 17-bound B41 HIV-1 Env SOSIP in complex with DDM
分子名称: 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2019-04-25
公開日2020-10-21
最終更新日2020-12-09
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献A Strain-Specific Inhibitor of Receptor-Bound HIV-1 Targets a Pocket near the Fusion Peptide.
Cell Rep, 33, 2020
6O6F
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BU of 6o6f by Molmil
Co-crystal structure of Mcl1 with inhibitor
分子名称: (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X.
登録日2019-03-06
公開日2019-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6ZT6
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BU of 6zt6 by Molmil
X-ray structure of mutated arabinofuranosidase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-L-arabinofuranosidase
著者Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R.
登録日2020-07-17
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase.
N Biotechnol, 62, 2021
6KY5
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BU of 6ky5 by Molmil
Crystal structure of a hydrolase mutant
分子名称: PET hydrolase, SULFATE ION
著者Cui, Y.L, Chen, Y.C, Liu, X.Y, Dong, S.J, Han, J, Xiang, H, Chen, Q, Liu, H.Y, Han, X, Liu, W.D, Tang, S.Y, Wu, B.
登録日2019-09-16
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献Computational redesign of PETase for plasticbiodegradation by GRAPE strategy.
Biorxiv, 2020
6XSZ
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BU of 6xsz by Molmil
The structure of the M60 catalytic domain from Clostridium perfringens ZmpC
分子名称: 1,2-ETHANEDIOL, ZINC ION, ZmpC Glycopeptidase
著者Pluvinage, B, Boraston, A.B.
登録日2020-07-16
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Molecular insights into architecturally complex glycopeptidases
Proc.Natl.Acad.Sci.USA, 2021
6OBA
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BU of 6oba by Molmil
The beta2 adrenergic receptor bound to a negative allosteric modulator
分子名称: (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, 6-bromo-N~2~-phenylquinazoline-2,4-diamine, Beta-2 adrenergic receptor,Lysozyme,Beta-2 adrenergic receptor, ...
著者Liu, X, Stobel, A, Kaindl, J, Dengler, D, ClarK, M, Mahoney, J, Korczynska, M, Matt, R.A, Hubner, H, Xu, X, Stanek, M, Hirata, K, Shoichet, B, Sunahara, R, Gmeiner, R, Kobilka, B.K.
登録日2019-03-20
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献An allosteric modulator binds to a conformational hub in the beta2adrenergic receptor.
Nat.Chem.Biol., 16, 2020
8ERQ
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BU of 8erq by Molmil
SARS-CoV-2 BA.1 spike ectodomain trimer in complex with the S2X324 neutralizing antibody Fab fragment (local refinement of the RBD and S2X324)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2X324 Fab heavy chain, S2X324 Fab light chain, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-10-12
公開日2022-10-26
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Imprinted antibody responses against SARS-CoV-2 Omicron sublineages.
Science, 378, 2022
4V32
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BU of 4v32 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Thalidomide, Y101F mutant
分子名称: CEREBLON ISOFORM 4, S-Thalidomide, ZINC ION
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2014-10-15
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
8B46
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BU of 8b46 by Molmil
Crystal structure of the SUN1-KASH6 9:9 complex
分子名称: CHLORIDE ION, Inositol 1,4,5-triphosphate receptor associated 2, POTASSIUM ION, ...
著者Gurusaran, M, Erlandsen, B.S, Davies, O.R.
登録日2022-09-19
公開日2023-09-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The crystal structure of SUN1-KASH6 reveals an asymmetric LINC complex architecture compatible with nuclear membrane insertion.
Commun Biol, 7, 2024
8EFU
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BU of 8efu by Molmil
a22L prion fibril
分子名称: Major prion protein
著者Hoyt, F, Caughey, B.
登録日2022-09-09
公開日2022-11-02
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM of prion strains from the same genotype of host identifies conformational determinants.
Plos Pathog., 18, 2022
6X81
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BU of 6x81 by Molmil
Crystal Structure of TNFalpha with isoquinoline compound 2
分子名称: Tumor necrosis factor, [4-(isoquinolin-8-yl)phenyl]acetonitrile
著者Longenecker, K.L, Stoll, V.S.
登録日2020-06-01
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
7YQK
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BU of 7yqk by Molmil
cryo-EM structure of gammaH2AXK15ub-H4K20me2 nucleosome bound to 53BP1
分子名称: DNA (145-MER), Histone H2AX, Histone H2B, ...
著者Ai, H.S, GuoChao, C, Qingyue, G, Ze-Bin, T, Zhiheng, D, Xin, L, Fan, Y, Ziyu, X, Jia-Bin, L, Changlin, T, Liu, L.
登録日2022-08-07
公開日2022-08-17
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Chemical Synthesis of Post-Translationally Modified H2AX Reveals Redundancy in Interplay between Histone Phosphorylation, Ubiquitination, and Methylation on the Binding of 53BP1 with Nucleosomes.
J.Am.Chem.Soc., 144, 2022
6U80
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BU of 6u80 by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
分子名称: 5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide, WD repeat-containing protein 5
著者Zhao, B, Wang, F.
登録日2019-09-04
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019
6UBI
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BU of 6ubi by Molmil
N123-VRC34.05 HIV neutralizing antibody in complex with HIV fusion peptide residue 512-519
分子名称: HIV fusion peptide 512-519, VRC34.05 heavy chain, VRC34.05 light chain
著者Xu, K, Liu, K, Kwong, P.D.
登録日2019-09-11
公開日2020-03-18
最終更新日2020-04-22
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献VRC34-Antibody Lineage Development Reveals How a Required Rare Mutation Shapes the Maturation of a Broad HIV-Neutralizing Lineage.
Cell Host Microbe, 27, 2020
8S31
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BU of 8s31 by Molmil
Crystal structure of human PLK1 Polo-Box Domain in complex with Mis18BP1
分子名称: Mis18-binding protein 1, Serine/threonine-protein kinase PLK1
著者Jeyaprakash, A.A, Medina-Pritchard, B.
登録日2024-02-19
公開日2024-08-21
実験手法X-RAY DIFFRACTION (2.134 Å)
主引用文献PLK1-mediated phosphorylation cascade activates Mis18 complex to ensure centromere inheritance
Science, 2024
6XQO
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BU of 6xqo by Molmil
Structure of the human MICU1-MICU2 heterodimer, calcium bound, in association with a lipid nanodisc
分子名称: CALCIUM ION, Calcium uptake protein 1, mitochondrial, ...
著者Long, S.B, Wang, C, Baradaran, R, Jacewicz, A, Delgado, B.
登録日2020-07-09
公開日2020-07-29
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structures reveal gatekeeping of the mitochondrial Ca 2+ uniporter by MICU1-MICU2.
Elife, 9, 2020
6RVC
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BU of 6rvc by Molmil
Crystal structure of Patched-1 ectodomain 2 (PTCH1-ECD2) in complex with nanobody 75
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody NB75, Protein patched homolog 1, ...
著者Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C.
登録日2019-05-31
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
7S6I
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BU of 7s6i by Molmil
SARS-CoV-2-6P-Mut2 S protein
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, Spike glycoprotein
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2021-09-14
公開日2022-05-11
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
6UD6
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BU of 6ud6 by Molmil
Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions
分子名称: CHLORIDE ION, GLYCEROL, Streptavidin
著者Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K.
登録日2019-09-18
公開日2020-09-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid.
Biochemistry, 60, 2021
7S6L
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BU of 7s6l by Molmil
J08 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (conformation 3)
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, J08 fragment antigen binding heavy chain variable domain, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2021-09-14
公開日2022-05-11
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
6ORL
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BU of 6orl by Molmil
RF1 pre-accommodated 70S complex at 24 ms
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Fu, Z, Indrisiunaite, G, Kaledhonkar, S, Shah, B, Sun, M, Chen, B, Grassucci, R.A, Ehrenberg, M, Frank, J.
登録日2019-04-30
公開日2019-06-19
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The structural basis for release-factor activation during translation termination revealed by time-resolved cryogenic electron microscopy.
Nat Commun, 10, 2019
6X85
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BU of 6x85 by Molmil
Crystal Structure of TNFalpha with indolinone compound 9
分子名称: 1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one, Tumor necrosis factor
著者Longenecker, K.L, Stoll, V.S.
登録日2020-06-01
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
7RU4
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BU of 7ru4 by Molmil
CC6.33 IgG in complex with SARS-CoV-2-6P-Mut7 S protein (RBD/Fv local refinement)
分子名称: 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, CC6.33 IgG heavy chain Fv, ...
著者Ozorowski, G, Turner, H.L, Ward, A.B.
登録日2021-08-16
公開日2022-08-24
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU1
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SARS-CoV-2-6P-Mut7 S protein (C3 symmetry)
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, Spike glycoprotein
著者Ozorowski, G, Turner, H.L, Ward, A.B.
登録日2021-08-16
公開日2022-08-24
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022

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