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7KIG
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BU of 7kig by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Indole-3-butyric acid
分子名称: 3-INDOLEBUTYRIC ACID, SULFATE ION, Transcriptional regulator, ...
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-10-23
公開日2021-12-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
8CSC
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BU of 8csc by Molmil
WbbB D232N-Kdo adduct
分子名称: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, ...
著者Forrester, T.J.B, Kimber, M.S.
登録日2022-05-12
公開日2022-11-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step.
Nat Commun, 13, 2022
8DI0
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BU of 8di0 by Molmil
Bfo2290: Tannerella forsythia chondroitin sulfate A sulfatase
分子名称: Arylsulfatase, SULFATE ION
著者Suits, M.D.L.
登録日2022-06-28
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Degradation of chondroitin sulfate A by a PUL-like operon in Tannerella forsythia.
Plos One, 17, 2022
8CSB
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BU of 8csb by Molmil
WbbB D232N in complex with CMP-beta-Kdo
分子名称: CYTIDINE 5'-MONOPHOSPHATE 3-DEOXY-BETA-D-GULO-OCT-2-ULO-PYRANOSONIC ACID, CYTIDINE-5'-MONOPHOSPHATE, N-acetyl glucosaminyl transferase, ...
著者Forrester, T.J.B, Kimber, M.S.
登録日2022-05-12
公開日2022-11-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step.
Nat Commun, 13, 2022
8PF4
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BU of 8pf4 by Molmil
Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)(4-fluorophenyl)carbamoyl)-1-methyl-1-(3-phenylpropyl)piperazin-1-ium
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Exertier, C, Ilari, A, Fiorillo, A, Antonelli, L.
登録日2023-06-15
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis.
J.Med.Chem., 67, 2024
7C87
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BU of 7c87 by Molmil
Peroxiredoxin from Aeropyrum pernix K1 (ApPrx) C50S/F80C/C207S/C213S mutant (ApPrx*F80C)
分子名称: CITRIC ACID, Peroxiredoxin
著者Himiyama, T, Nakamura, T.
登録日2020-05-29
公開日2020-12-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Rebuilding Ring-Type Assembly of Peroxiredoxin by Chemical Modification.
Bioconjug.Chem., 32, 2021
8DFV
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BU of 8dfv by Molmil
Structural Basis of MicroRNA Biogenesis by Dicer-1 and Its Partner Protein Loqs-PB - complex IIa
分子名称: CALCIUM ION, Endoribonuclease Dcr-1, Loquacious, ...
著者Jouravleva, K, Golovenko, D, Demo, G, Dutcher, R.C, Tanaka Hall, T.M, Zamore, P.D, Korostelev, A.A.
登録日2022-06-22
公開日2022-11-16
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Structural basis of microRNA biogenesis by Dicer-1 and its partner protein Loqs-PB.
Mol.Cell, 82, 2022
6U4T
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BU of 6u4t by Molmil
Carbonic anhydrase 9 in complex with SB4197
分子名称: 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION
著者Murray, A.B, Lomelino, C.L, McKenna, R.
登録日2019-08-26
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.356 Å)
主引用文献"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
7KXS
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BU of 7kxs by Molmil
Computational design of constitutively active cGAS
分子名称: Cyclic GMP-AMP synthase, ZINC ION
著者Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P.
登録日2020-12-04
公開日2021-12-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Computational design of constitutively active cGAS.
Nat.Struct.Mol.Biol., 30, 2023
8DG7
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BU of 8dg7 by Molmil
Structural Basis of MicroRNA Biogenesis by Dicer-1 and Its Partner Protein Loqs-PB - complex III
分子名称: Endoribonuclease Dcr-1, Loquacious, isoform B, ...
著者Jouravleva, K, Golovenko, D, Demo, G, Dutcher, R.C, Tanaka Hall, T.M, Zamore, P.D, Korostelev, A.A.
登録日2022-06-23
公開日2022-11-16
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Structural basis of microRNA biogenesis by Dicer-1 and its partner protein Loqs-PB.
Mol.Cell, 82, 2022
6U4Y
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BU of 6u4y by Molmil
Crystal Structure of an EZH2-EED Complex in an Oligomeric State
分子名称: Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Jiao, L, Liu, X.
登録日2019-08-26
公開日2020-07-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献A partially disordered region connects gene repression and activation functions of EZH2.
Proc.Natl.Acad.Sci.USA, 117, 2020
7QY0
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BU of 7qy0 by Molmil
X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O, Brandstetter, H, Pautsch, A.
登録日2022-01-27
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
7KYM
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BU of 7kym by Molmil
Crystal structure of the MarR family transcriptional regulator from Bradyrhizobium japonicum
分子名称: MarR family transcriptional regulator, PHOSPHATE ION
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-12-08
公開日2021-12-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7QY1
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BU of 7qy1 by Molmil
X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate, CALCIUM ION, ...
著者Dahms, S.O, Brandstetter, H, Pautsch, A.
登録日2022-01-27
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
8DGJ
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BU of 8dgj by Molmil
Structural Basis of MicroRNA Biogenesis by Dicer-1 and Its Partner Protein Loqs-PB - complex Ib
分子名称: Endoribonuclease Dcr-1, Loquacious, isoform B
著者Jouravleva, K, Golovenko, D, Demo, G, Dutcher, R.C, Tanaka Hall, T.M, Zamore, P.D, Korostelev, A.A.
登録日2022-06-23
公開日2022-11-16
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.02 Å)
主引用文献Structural basis of microRNA biogenesis by Dicer-1 and its partner protein Loqs-PB.
Mol.Cell, 82, 2022
8DGI
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BU of 8dgi by Molmil
Structural Basis of MicroRNA Biogenesis by Dicer-1 and Its Partner Protein Loqs-PB - complex Ia
分子名称: Endoribonuclease Dcr-1, Loquacious, isoform B
著者Jouravleva, K, Golovenko, D, Demo, G, Dutcher, R.C, Tanaka Hall, T.M, Zamore, P.D, Korostelev, A.A.
登録日2022-06-23
公開日2022-11-16
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.94 Å)
主引用文献Structural basis of microRNA biogenesis by Dicer-1 and its partner protein Loqs-PB.
Mol.Cell, 82, 2022
7KZH
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BU of 7kzh by Molmil
Zinc finger antiviral protein (ZAP) central domain
分子名称: ZINC ION, Zinc finger CCCH-type antiviral protein 1
著者Pornillos, O.P.
登録日2020-12-10
公開日2021-12-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Poly(ADP-ribose) potentiates ZAP antiviral activity.
Plos Pathog., 18, 2022
6U7H
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BU of 6u7h by Molmil
Cryo-EM structure of the HCoV-229E spike glycoprotein
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, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, Z, Benlekbir, S, Rubinstein, J.L, Rini, J.M.
登録日2019-09-02
公開日2019-11-13
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The human coronavirus HCoV-229E S-protein structure and receptor binding.
Elife, 8, 2019
7KUW
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BU of 7kuw by Molmil
High-throughput design and refinement of stable proteins using sequence-only models
分子名称: Sequence-Based Designed Protein nmt_0994_guided_02
著者Bera, A.K, Stewart, L, Kang, A.S, Baker, D.
登録日2020-11-25
公開日2021-12-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Large-scale design and refinement of stable proteins using sequence-only models.
Plos One, 17, 2022
8DG5
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BU of 8dg5 by Molmil
Structural Basis of MicroRNA Biogenesis by Dicer-1 and Its Partner Protein Loqs-PB - complex IIb
分子名称: Endoribonuclease Dcr-1, Loquacious, isoform B, ...
著者Jouravleva, K, Golovenko, D, Demo, G, Dutcher, R.C, Tanaka Hall, T.M, Zamore, P.D, Korostelev, A.A.
登録日2022-06-23
公開日2022-11-16
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Structural basis of microRNA biogenesis by Dicer-1 and its partner protein Loqs-PB.
Mol.Cell, 82, 2022
6U8X
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BU of 6u8x by Molmil
Crystal structure of DNMT3B-DNMT3L in complex with CpApG DNA
分子名称: CpApG DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ...
著者Gao, L, Song, J.
登録日2019-09-06
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.95063877 Å)
主引用文献Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms.
Nat Commun, 11, 2020
7L9T
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BU of 7l9t by Molmil
Crystal Structure of Dihydrofolate reductase from Mycolicibacterium smegmatis in complex with SDDC-0001565 inhibitor
分子名称: 3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, DIMETHYL SULFOXIDE, Dihydrofolate reductase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-01-05
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Acetyl-coenzyme A synthetase synthetase from Coccidioides immitis in complex with PRX
to be published
7LDQ
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BU of 7ldq by Molmil
Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2846
分子名称: ACETIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-01-13
公開日2021-01-27
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2846
To Be Published
7LF9
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BU of 7lf9 by Molmil
Structure of Hyperglycosylated Human IgG1 Fc (Fc329)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IgG1 Fc (Fc329), ...
著者Fields, J.K, Sundberg, E.J.
登録日2021-01-15
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Silent Antibodies: Generation of Hyperglycosylated FCs to Ablate Effector Functions
To Be Published
8D12
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BU of 8d12 by Molmil
Crystal Structure of EcDsbA in a complex with 1-methyl-1H-pyrazol-4-amine
分子名称: 1-methyl-1H-pyrazol-4-amine, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
著者Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
登録日2022-05-26
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023

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件を2024-10-16に公開中

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