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8CMA
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SARS-CoV-2 Delta-RBD complexed with BA.4/5-35 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BA.4/5-35 heavy chain, BA.4/5-35 light chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2023-02-18
公開日2024-02-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
8F7K
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BU of 8f7k by Molmil
Thermoplasma acidophilum 20S proteasome - wild type bound to ZYA
分子名称: N-[(benzyloxy)carbonyl]-L-tyrosyl-D-alanine, Proteasome subunit alpha, Proteasome subunit beta
著者Chuah, J, Smith, D.
登録日2022-11-18
公開日2023-08-30
実験手法ELECTRON MICROSCOPY (1.94 Å)
主引用文献High resolution structures define divergent and convergent mechanisms of archaeal proteasome activation.
Commun Biol, 6, 2023
5IF7
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BU of 5if7 by Molmil
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to fragment hit EBSI-279 N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
分子名称: DIMETHYL SULFOXIDE, N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Polymerase acidic protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-02-25
公開日2017-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA
To Be Published
6FUV
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BU of 6fuv by Molmil
Structure of a manno-oligosaccharide specific solute binding protein, BlMnBP2 from Bifidobacterium animalis subsp. lactis ATCC 27673 in complex with mannotriose
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ACETATE ION, Solute Binding Protein, ...
著者Ejby, M, Abou Hachem, M, Guskov, A, Slotboom, D.J.
登録日2018-02-27
公開日2019-03-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Two binding proteins of the ABC transporter that confers growth of Bifidobacterium animalis subsp. lactis ATCC27673 on beta-mannan possess distinct manno-oligosaccharide-binding profiles.
Mol.Microbiol., 112, 2019
6PCI
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BU of 6pci by Molmil
EBOV GPdMuc (Makona) in complex with rEBOV-520 and rEBOV-548 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Virion spike glycoprotein, Virion spike glycoprotein,Virion spike glycoprotein,Ebola Virus (Makona) GP2, ...
著者Ward, A.B, Murin, C.D, Alkutkar, T.
登録日2019-06-17
公開日2020-03-11
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.12 Å)
主引用文献Analysis of a Therapeutic Antibody Cocktail Reveals Determinants for Cooperative and Broad Ebolavirus Neutralization.
Immunity, 52, 2020
8DCC
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BU of 8dcc by Molmil
SARS-CoV-2 Receptor-Binding Domain SPEEDesign Immunogen 3 Bound to P2B-2F6 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, P2B-2F6 Fab heavy chain, P2B-2F6 Fab light chain, ...
著者Dickey, T.D, Tolia, N.H.
登録日2022-06-16
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design of the SARS-CoV-2 RBD vaccine antigen improves neutralizing antibody response.
Sci Adv, 8, 2022
7L0N
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BU of 7l0n by Molmil
Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Snell, G, Czudnochowski, N, Dillen, J, Nix, J.C, Croll, T.I, Corti, D.
登録日2020-12-11
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity.
Cell, 184, 2021
8CXN
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BU of 8cxn by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-57
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, pan-sarbecovirus nanobody 2-57
著者Huang, W, Taylor, D.
登録日2022-05-22
公開日2022-07-06
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8J45
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BU of 8j45 by Molmil
Crystal structure of a Pichia pastoris-expressed IsPETase variant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Poly(ethylene terephthalate) hydrolase
著者Li, X, He, H.L, Long, X, Niu, D, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2023-04-19
公開日2024-01-17
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Complete decomposition of poly(ethylene terephthalate) by crude PET hydrolytic enzyme produced in Pichia pastoris
Chem Eng J, 2023
7QTY
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BU of 7qty by Molmil
X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae
分子名称: 1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Stegmann, D, Steuber, J, Fritz, G.
登録日2022-01-17
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Fast fragment- and compound-screening pipeline at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 78, 2022
7QU5
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BU of 7qu5 by Molmil
X-ray structure of FAD domain of NqrF of Pseudomonas aeruginosa
分子名称: DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Stegmann, D, Steuber, J, Fritz, G.
登録日2022-01-17
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Fast fragment- and compound-screening pipeline at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 78, 2022
7QU3
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BU of 7qu3 by Molmil
X-ray structure of FAD domain of NqrF of Pseudomonas aeruginosa
分子名称: 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Stegmann, D, Steuber, J, Fritz, G.
登録日2022-01-17
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fast fragment- and compound-screening pipeline at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 78, 2022
6YK6
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BU of 6yk6 by Molmil
Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound (S)-1-(2'-Amino-2'-carboxyethyl)furo[3,4-d]pyrimidin-2,4-dione at resolution 1.47A
分子名称: (S)-1-(2'-Amino-2'-carboxyethyl)furo[3,4-d]pyrimidin-2,4-dione, CHLORIDE ION, GLYCEROL, ...
著者Frydenvang, K, Kastrup, J.S.
登録日2020-04-05
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.469 Å)
主引用文献Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions.
Acs Chem Neurosci, 11, 2020
5LKR
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BU of 5lkr by Molmil
Human Butyrylcholinesterase complexed with N-Propargyliperidines
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, Cholinesterase, ...
著者Coquelle, N, Knez, D, Colletier, J.P, Gobec, S.
登録日2016-07-23
公開日2016-12-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents.
Bioorg. Med. Chem., 25, 2017
5IVF
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BU of 5ivf by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N10 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol
分子名称: 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol, Lysine-specific demethylase 5A, MANGANESE (II) ION
著者Horton, J.R, Cheng, X.
登録日2016-03-20
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.683 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
7TN0
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BU of 7tn0 by Molmil
SARS-CoV-2 Omicron RBD in complex with human ACE2 and S304 Fab and S309 Fab
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者McCallum, M, Czudnochowski, N, Nix, J.C, Croll, T.I, SSGCID, Dillen, J.R, Snell, G, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-01-20
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural basis of SARS-CoV-2 Omicron immune evasion and receptor engagement.
Science, 375, 2022
6YK2
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BU of 6yk2 by Molmil
Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound (S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydrothieno[3,4-d]pyrimidin- 2,4(1H,3H)-dione at resolution 1.60A
分子名称: (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, GLYCEROL, ...
著者Frydenvang, K, Kastrup, J.S.
登録日2020-04-05
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.612 Å)
主引用文献Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions.
Acs Chem Neurosci, 11, 2020
6DLF
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BU of 6dlf by Molmil
Crystal structure of NTRI homodimer
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, Neurotrimin
著者Ranaivoson, F.M, Turk, L.S, Ozkan, E, Montelione, G.T, Comoletti, D.
登録日2018-06-01
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.446 Å)
主引用文献Structure of a heterodimer of neuronal cell surface proteins
Structure, 2019
6YAC
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BU of 6yac by Molmil
Plant PSI-ferredoxin supercomplex
分子名称: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (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, ...
著者Caspy, I, Nelson, N, Shkolnisky, Y, Klaiman, D, Sheinker, A.
登録日2020-03-12
公開日2020-09-30
最終更新日2020-10-21
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献The structure of a triple complex of plant photosystem I with ferredoxin and plastocyanin.
Nat.Plants, 6, 2020
8TIR
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BU of 8tir by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 5' terminal phosphates.
分子名称: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*G)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
8TIU
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BU of 8tiu by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and 3' terminal phosphates.
分子名称: DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3')|, DNA (5'-D(GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*A)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
8TIX
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BU of 8tix by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 5' terminal phosphates and crosslinked with EDC.
分子名称: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*G)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
8TIS
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BU of 8tis by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 3' terminal phosphates.
分子名称: DNA (5'-D(GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*A)-3'), DNA(5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-')|, MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
8TIQ
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Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with blunt ends and 3' terminal phosphates.
分子名称: DNA (5'-D(*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3', DNA (5'-D(*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*GP*A)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Slaughter, C.K, Shrestha, R, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
8TIT
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Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and no terminal phosphates.
分子名称: DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3')|, DNA (5'-D(GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP)-3'), MAGNESIUM ION, ...
著者Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
登録日2023-07-20
公開日2023-08-02
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024

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