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6QP5
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Apo Human Calcium/Calmodulin-dependent kinase type 1D
分子名称: 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase type 1D, SULFATE ION
著者Sorrell, F.J, Knapp, S.
登録日2019-02-13
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Apo Human Calcium/Calmodulin-dependent kinase type 1D
To Be Published
6H2X
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BU of 6h2x by Molmil
MukB coiled-coil elbow from E. coli
分子名称: Chromosome partition protein MukB,Chromosome partition protein MukB
著者Buermann, F, Lowe, J.
登録日2018-07-16
公開日2019-03-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A folded conformation of MukBEF and cohesin.
Nat.Struct.Mol.Biol., 26, 2019
7S6R
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BU of 7s6r by Molmil
Complex structure of Methane monooxygenase hydroxylase and regulatory subunit with H5A mutation
分子名称: 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ...
著者Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D.
登録日2021-09-14
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics.
Biochemistry, 61, 2022
6ZK6
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BU of 6zk6 by Molmil
Protein Phosphatase 1 (PP1) T320E mutant
分子名称: FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Salvi, F, Barabas, O, Koehn, M.
登録日2020-06-29
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Towards Dissecting the Mechanism of Protein Phosphatase-1 Inhibition by Its C-Terminal Phosphorylation.
Chembiochem, 22, 2021
6QRW
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BU of 6qrw by Molmil
X-ray radiation dose series on xylose isomerase - 3.25 MGy
分子名称: 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, MAGNESIUM ION, ...
著者Taberman, H, Bury, C.S, van der Woerd, M.J, Snell, E.H, Garman, E.F.
登録日2019-02-19
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Structural knowledge or X-ray damage? A case study on xylose isomerase illustrating both.
J.Synchrotron Radiat., 26, 2019
6C7X
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BU of 6c7x by Molmil
Carbonic anhydrase 2 in complex with 2-chloro-5'-O-sulfamoyladenosine
分子名称: 2-chloro-5'-O-sulfamoyladenosine, Carbonic anhydrase 2, SODIUM ION, ...
著者Peat, T.S, Mujumdar, P, Poulsen, S.A.
登録日2018-01-23
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Synthesis, structure and bioactivity of primary sulfamate-containing natural products.
Bioorg. Med. Chem. Lett., 28, 2018
8QFB
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BU of 8qfb by Molmil
Crystal structure of human MPP8 C-terminal region (residues 565-860)
分子名称: M-phase phosphoprotein 8
著者Prigozhin, D.M, Modis, Y.
登録日2023-09-04
公開日2024-09-11
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structure and methyl-lysine binding selectivity of the HUSH complex subunit MPP8
to be published
6QSD
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BU of 6qsd by Molmil
Crystal structure of Pizza6S
分子名称: Pizza6S, SULFATE ION
著者Noguchi, H, Vandebroek, L, Kamata, K, Tame, J.R.H, Van Meervelt, L, Parac-Vogt, T.N, Voet, A.R.D.
登録日2019-02-20
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Hybrid assemblies of a symmetric designer protein and polyoxometalates with matching symmetry.
Chem.Commun.(Camb.), 56, 2020
7S6S
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BU of 7s6s by Molmil
Complex structure of Methane monooxygenase hydroxylase and regulatory subunit DBL1
分子名称: 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ...
著者Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D.
登録日2021-09-14
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics.
Biochemistry, 61, 2022
7C7F
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BU of 7c7f by Molmil
Crystal structures of AKR1C3 binary complex with NADP+
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C3, ...
著者Irie, K, Toyooka, N, Endo, S.
登録日2020-05-25
公開日2020-09-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.
J.Med.Chem., 63, 2020
8QB0
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BU of 8qb0 by Molmil
Crystal Structure of BRPF1 bromodomain in complex with acetyl-pyrrole derivative compound 2
分子名称: 2-[4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-2~{H}-isoindol-1-yl)-1,3-thiazol-2-yl]guanidine, NITRATE ION, Peregrin
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2023-08-23
公開日2024-09-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Dual BET/BRPF1 inhibitors induce morphological alteration and cellular death in various human cancer cell lines
To be published
7S94
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BU of 7s94 by Molmil
Structure of the core postfusion porcine endogenous retrovirus fusion protein
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Endogenous retrovirus group S71 member 1 Env polyprotein
著者Dean, T.T, Lee, J.E.
登録日2021-09-20
公開日2022-01-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the Core Postfusion Porcine Endogenous Retrovirus Fusion Protein.
Mbio, 13, 2022
6QSH
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BU of 6qsh by Molmil
Crystal structure of the hybrid bioinorganic complex of Pizza6S linked by the 1:2 Ce-substituted Keggin
分子名称: 1:2 Ce-substituted Keggin, Pizza6S
著者Noguchi, H, Vandebroek, L, Kamata, K, Tame, J.R.H, Van Meervelt, L, Parac-Vogt, T.N, Voet, A.R.D.
登録日2019-02-20
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Hybrid assemblies of a symmetric designer protein and polyoxometalates with matching symmetry.
Chem.Commun.(Camb.), 56, 2020
6I8V
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BU of 6i8v by Molmil
KtrC with ATP bound
分子名称: 1,4-BUTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
著者Rocha, R, Morais-Cabral, J.H.
登録日2018-11-21
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献Characterization of the molecular properties of KtrC, a second RCK domain that regulates a Ktr channel in Bacillus subtilis.
J.Struct.Biol., 205, 2019
7ZO2
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BU of 7zo2 by Molmil
L1 metallo-beta-lactamase complex with hydrolysed doripenem
分子名称: (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, CHLORIDE ION, Metallo-beta-lactamase L1, ...
著者Hinchliffe, P, Spencer, J.
登録日2022-04-24
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Interactions of hydrolyzed beta-lactams with the L1 metallo-beta-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products.
J.Biol.Chem., 299, 2023
6H0N
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BU of 6h0n by Molmil
The structure of wild-type Arabidopsis thaliana UDP-apiose/UDP-xylose synthase in complex with NAD+ and UDP
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION, UDP-D-apiose/UDP-D-xylose synthase 1, ...
著者Savino, S, Mattevi, A.
登録日2018-07-10
公開日2019-10-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Deciphering the enzymatic mechanism of sugar ring contraction in UDP-apiose biosynthesis.
Nat Catal, 2, 2019
8QDG
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BU of 8qdg by Molmil
compound 1a bound KMT9 crystal structure
分子名称: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3~{S})-pyrrolidin-3-yl]amino]-2-azanyl-butanoic acid, Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein
著者Sheng, W, Eric, M, Roland, S.
登録日2023-08-29
公開日2024-09-11
実験手法X-RAY DIFFRACTION (1.392 Å)
主引用文献compound 1a bound KMT9 crystal structure
To Be Published
7S56
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BU of 7s56 by Molmil
Sortase A from Streptococcus agalactiae, residues 79-247
分子名称: Class A sortase
著者Gao, M, Kodama, H.M, Antos, J.M, Amacher, J.F.
登録日2021-09-09
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes.
Protein Sci., 31, 2022
7COZ
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BU of 7coz by Molmil
Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-41
分子名称: 1,2-ETHANEDIOL, 1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide, Glutaminyl-peptide cyclotransferase, ...
著者Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J.
登録日2020-08-05
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors.
Int.J.Biol.Macromol., 170, 2020
8QAN
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BU of 8qan by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with acetyl-pyrrole derivative compound 79
分子名称: 1,2-ETHANEDIOL, 1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone, Bromodomain-containing protein 4
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2023-08-23
公開日2024-09-11
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Dual BET/BRPF1 inhibitors induce morphological alteration and cellular death in various human cancer cell lines
To be published
8QDI
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BU of 8qdi by Molmil
compound 1b bound KMT9 crystal structure
分子名称: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[(2~{R})-pyrrolidin-2-yl]ethyl]amino]-2-azanyl-butanoic acid, Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein
著者Sheng, W, Eric, M, Roland, S.
登録日2023-08-29
公開日2024-09-11
実験手法X-RAY DIFFRACTION (1.467 Å)
主引用文献compound 1a bound KMT9 crystal structure
To Be Published
7C8W
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BU of 7c8w by Molmil
Structure of sybody MR17 in complex with the SARS-CoV-2 S receptor-binding domain (RBD)
分子名称: GLYCEROL, Spike protein S1, Synthetic nanobody MR17, ...
著者Li, T, Cai, H, Yao, H, Qin, W, Li, D.
登録日2020-06-03
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
6QPO
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BU of 6qpo by Molmil
Adenovirus species D serotype 49 Fiber-Knob KO1 mutant
分子名称: Fiber, SULFATE ION
著者Baker, A.T, Rizkallah, P.J.
登録日2019-02-14
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The Fiber Knob Protein of Human Adenovirus Type 49 Mediates Highly Efficient and Promiscuous Infection of Cancer Cell Lines Using a Novel Cell Entry Mechanism.
J.Virol., 95, 2021
8QB2
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BU of 8qb2 by Molmil
Crystal Structure of BRPF1 bromodomain in complex with acetyl-pyrrole derivative compound 79
分子名称: 1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone, NITRATE ION, Peregrin
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2023-08-24
公開日2024-09-11
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Dual BET/BRPF1 inhibitors induce morphological alteration and cellular death in various human cancer cell lines
To be published
7S53
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BU of 7s53 by Molmil
Structure of Sortase A from Streptococcus pyogenes with the b7-b8 loop sequence from Listeria monocytogenes Sortase A
分子名称: Class A sortase, sortase A chimera
著者Johnson, D.A, Svendsen, J.E, Antos, J.M, Amacher, J.F.
登録日2021-09-09
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes.
Protein Sci., 31, 2022

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件を2024-10-02に公開中

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