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6OL8
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BU of 6ol8 by Molmil
Crystal structure of NDM-12 metallo-beta-lactamase in complex with hydrolyzed ampicillin
分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, Metallo-beta-lactamase NDM-12, ...
著者Raczynska, J.E, Imiolczyk, B, Jaskolski, M.
登録日2019-04-16
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Flexible loops of New Delhi metallo-beta-lactamase modulate its activity towards different substrates.
Int.J.Biol.Macromol., 158, 2020
8QKG
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BU of 8qkg by Molmil
PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-125)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MAM-125), ...
著者Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C.
登録日2023-09-15
公開日2024-03-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.538 Å)
主引用文献Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1.
Eur.J.Med.Chem., 269, 2024
7NRV
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BU of 7nrv by Molmil
Paired helical filament from Alzheimer's disease with PET ligand APN-1607
分子名称: Microtubule-associated protein tau
著者Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M.
登録日2021-03-04
公開日2021-03-24
最終更新日2021-04-28
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607.
Acta Neuropathol, 141, 2021
7NRQ
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BU of 7nrq by Molmil
Paired helical filament from primary age-related tauopathy brain
分子名称: Microtubule-associated protein tau
著者Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M.
登録日2021-03-04
公開日2021-03-24
最終更新日2021-04-28
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607.
Acta Neuropathol, 141, 2021
7NRS
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BU of 7nrs by Molmil
Conformation 1 of straight filament from primary age-related tauopathy brain
分子名称: Microtubule-associated protein tau
著者Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M.
登録日2021-03-04
公開日2021-03-24
最終更新日2021-04-28
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607.
Acta Neuropathol, 141, 2021
7NRT
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BU of 7nrt by Molmil
Conformation 2 of straight filament from primary age-related tauopathy brain
分子名称: Microtubule-associated protein tau
著者Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M.
登録日2021-03-04
公開日2021-03-24
最終更新日2021-04-28
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607.
Acta Neuropathol, 141, 2021
7NRX
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BU of 7nrx by Molmil
Straight filament from Alzheimer's disease with PET ligand APN-1607
分子名称: Microtubule-associated protein tau
著者Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M.
登録日2021-03-04
公開日2021-03-24
最終更新日2021-04-28
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607.
Acta Neuropathol, 141, 2021
8RRY
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BU of 8rry by Molmil
Crystal structure of copper-loaded SmAA10
分子名称: CBP21, CITRIC ACID, COPPER (II) ION, ...
著者Munzone, A, Pujol, M, Reglier, M, Royant, A, Simaan, A.J, Decroos, C.
登録日2024-01-24
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.45561326 Å)
主引用文献Integrated Experimental and Theoretical Investigation of Copper Active Site Properties of a Lytic Polysaccharide Monooxygenase from Serratia marcescens.
Inorg.Chem., 63, 2024
8S8A
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BU of 8s8a by Molmil
Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone without phosphate
分子名称: 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, CHLORIDE ION, Chronophin, ...
著者Brenner, M, Gohla, A, Schindelin, H.
登録日2024-03-06
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase.
Elife, 13, 2024
6OWJ
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BU of 6owj by Molmil
Zn-mediated polymerization of human SFPQ
分子名称: Splicing factor, proline- and glutamine-rich, ZINC ION
著者Lee, M.
登録日2019-05-10
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural basis of the zinc-induced cytoplasmic aggregation of the RNA-binding protein SFPQ.
Nucleic Acids Res., 48, 2020
6OWN
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BU of 6own by Molmil
Crystal structure of Msm DnaB1 intein splicing domain bound with zinc
分子名称: Replicative DNA helicase, ZINC ION
著者Bacot-Davis, V.R, Belfort, M, Lennon, C.
登録日2019-05-10
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Conditional DnaB Protein Splicing Is Reversibly Inhibited by Zinc in Mycobacteria.
Mbio, 11, 2020
7OC9
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BU of 7oc9 by Molmil
Structure of Bdellovibrio bacteriovorus Bd0675
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Bd0675, GLYCEROL, ...
著者Lovering, A.L, Valdivia-Delgado, M.
登録日2021-04-26
公開日2021-05-05
最終更新日2021-12-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Target highlights in CASP14: Analysis of models by structure providers.
Proteins, 89, 2021
6OGO
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BU of 6ogo by Molmil
Crystal structure of NDM-9 metallo-beta-lactamase
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Raczynska, J.E, Imiolczyk, B, Jaskolski, M.
登録日2019-04-03
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Flexible loops of New Delhi metallo-beta-lactamase modulate its activity towards different substrates.
Int.J.Biol.Macromol., 158, 2020
7M98
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BU of 7m98 by Molmil
ATAD2 bromodomain complexed with histone H4K5ac (res 1-10) ligand
分子名称: ATPase family AAA domain-containing protein 2, Histone H4
著者Malone, K.L, Phillips, M, Nix, J.C, Glass, K.C.
登録日2021-03-30
公開日2021-09-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Coordination of Di-Acetylated Histone Ligands by the ATAD2 Bromodomain.
Int J Mol Sci, 22, 2021
5LS0
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BU of 5ls0 by Molmil
Crystal structure of Inorganic Pyrophosphatase PPA1 from Arabidopsis thaliana
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Soluble inorganic pyrophosphatase 1
著者Grzechowiak, M, Sikorski, M, Jaskolski, M.
登録日2016-08-22
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structures of plant inorganic pyrophosphatase, an enzyme with a moonlighting autoproteolytic activity.
Biochem.J., 476, 2019
7AMP
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BU of 7amp by Molmil
Crystal structure of the complex of HuJovi-1 Fab with the human A6 T-cell receptor TRBC1
分子名称: Alpha chain of A6 T-cell receptor, Beta chain 1 of A6 T-cell receptor TRBC1, CHLORIDE ION, ...
著者Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M.
登録日2020-10-09
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
7AMQ
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BU of 7amq by Molmil
Crystal structure of the complex of HuJovi-1 Fab with the human TRBC2
分子名称: CHLORIDE ION, GLYCEROL, Human A6 T-cell receptor alpha chain, ...
著者Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M.
登録日2020-10-09
公開日2022-04-20
最終更新日2022-04-27
実験手法X-RAY DIFFRACTION (2.353 Å)
主引用文献Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
7AMS
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BU of 7ams by Molmil
Crystal structure of the complex of the KFN mutant of HuJovi-1 Fab with human TRBC2
分子名称: CHLORIDE ION, GLYCEROL, Human A6 T-cell receptor alpha chain, ...
著者Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Svensson, A, Logan, D.T, Sewell, A, Onuoha, S, Pule, M.
登録日2020-10-09
公開日2022-04-20
最終更新日2022-04-27
実験手法X-RAY DIFFRACTION (2.419 Å)
主引用文献Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
1CCF
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BU of 1ccf by Molmil
How an Epidermal Growth Factor (EGF)-Like Domain Binds Calcium-High Resolution NMR Structure of the Calcium Form of the NH2-Terminal EGF-Like Domain in Coagulation Factor X
分子名称: COAGULATION FACTOR X
著者Selander-Sunnerhagen, M, Ullner, M, Persson, M, Teleman, O, Stenflo, J, Drakenberg, T.
登録日1993-05-19
公開日1994-05-31
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献How an epidermal growth factor (EGF)-like domain binds calcium. High resolution NMR structure of the calcium form of the NH2-terminal EGF-like domain in coagulation factor X.
J.Biol.Chem., 267, 1992
6YEH
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BU of 6yeh by Molmil
Arabidopsis thaliana glutamate dehydrogenase isoform 1 in apo form
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Glutamate dehydrogenase 1, POTASSIUM ION
著者Ruszkowski, M, Grzechowiak, M, Jaskolski, M.
登録日2020-03-24
公開日2020-05-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural Studies of Glutamate Dehydrogenase (Isoform 1) FromArabidopsis thaliana, an Important Enzyme at the Branch-Point Between Carbon and Nitrogen Metabolism.
Front Plant Sci, 11, 2020
7OBP
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BU of 7obp by Molmil
Crystal structure of the human NCOA7-AS TLDc domain
分子名称: NCOA7-AS
著者Blaise, M.
登録日2021-04-23
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the TLDc domain of human NCOA7-AS.
Acta Crystallogr.,Sect.F, 77, 2021
6YEI
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BU of 6yei by Molmil
Arabidopsis thaliana glutamate dehydrogenase isoform 1 in complex with NAD
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ...
著者Ruszkowski, M, Grzechowiak, M, Jaskolski, M.
登録日2020-03-24
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural Studies of Glutamate Dehydrogenase (Isoform 1) FromArabidopsis thaliana, an Important Enzyme at the Branch-Point Between Carbon and Nitrogen Metabolism.
Front Plant Sci, 11, 2020
6W98
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BU of 6w98 by Molmil
Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria
分子名称: 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, CALCIUM ION, ...
著者Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F.
登録日2020-03-22
公開日2020-05-13
最終更新日2020-06-03
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria.
Mol.Cell, 78, 2020
7NR3
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BU of 7nr3 by Molmil
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M.
登録日2021-03-02
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
7NR9
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Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M, Cleasby, A.
登録日2021-03-03
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.906 Å)
主引用文献Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021

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