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7SJF
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Structure of Dehaloperoxidase B in Complex with Thymol
分子名称: 5-METHYL-2-(1-METHYLETHYL)PHENOL, Dehaloperoxidase B, GLYCEROL, ...
著者Ghiladi, R.A, de Serrano, V.S, Malewschik, T, Yun, D.
登録日2021-10-17
公開日2022-11-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
7SJH
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Crystal structure of dehaloperoxidase B in complex with S-(-)-limonene
分子名称: (4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene, Dehaloperoxidase B, GLYCEROL, ...
著者Ghiladi, R.A, de Serrano, V.S, Malewschik, T, Yun, D.
登録日2021-10-17
公開日2022-11-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
7Q0X
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BU of 7q0x by Molmil
Bovine Trypsin co-crystallized with V(IV)OSO4 and pic
分子名称: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
著者Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C.
登録日2021-10-16
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
7Q0U
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Lysozyme soaked with V(IV)OSO4 and bipy
分子名称: 2,2'-bipyridine, ACETATE ION, CHLORIDE ION, ...
著者Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C.
登録日2021-10-16
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
7Q0V
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Lysozyme soaked with V(IV)OSO4 and phen
分子名称: 1,10-PHENANTHROLINE, ACETATE ION, CHLORIDE ION, ...
著者Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C.
登録日2021-10-16
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
7Q0W
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BU of 7q0w by Molmil
Bovine Trypsin co-crystallized with V(IV)OSO4 and phen
分子名称: 1,10-PHENANTHROLINE, CALCIUM ION, Cationic trypsin, ...
著者Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C.
登録日2021-10-16
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
7Q0T
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BU of 7q0t by Molmil
Lysozyme soaked with V(IV)OSO4
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C.
登録日2021-10-16
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
7SJ8
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BU of 7sj8 by Molmil
13pf wildtype microtubule from recombinant human tubulin decorated with kinesin
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者LaFrance, B.J, Greber, B.J, Zhang, R, McCollum, C, Nogales, E.
登録日2021-10-16
公開日2022-01-19
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural transitions in the GTP cap visualized by cryo-electron microscopy of catalytically inactive microtubules.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SJ9
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BU of 7sj9 by Molmil
13pf E254A microtubule from recombinant human tubulin decorated with EB3
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Microtubule-associated protein RP/EB family member 3, ...
著者LaFrance, B.J, Greber, B.J, Zhang, R, McCollum, C, Nogales, E.
登録日2021-10-16
公開日2022-01-19
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural transitions in the GTP cap visualized by cryo-electron microscopy of catalytically inactive microtubules.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SJ7
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BU of 7sj7 by Molmil
Undecorated 13pf wildtype microtubule from recombinant human tubulin
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者LaFrance, B.J, Greber, B.J, Zhang, R, McCollum, C, Nogales, E.
登録日2021-10-16
公開日2022-01-19
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural transitions in the GTP cap visualized by cryo-electron microscopy of catalytically inactive microtubules.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SJA
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BU of 7sja by Molmil
Undecorated 13pf E254N microtubule from recombinant human tubulin
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Tubulin alpha-1B chain, ...
著者LaFrance, B.J, Greber, B.J, Zhang, R, McCollum, C, Nogales, E.
登録日2021-10-16
公開日2022-01-19
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural transitions in the GTP cap visualized by cryo-electron microscopy of catalytically inactive microtubules.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SJ4
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BU of 7sj4 by Molmil
Human Trio residues 1284-1959 in complex with Rac1
分子名称: Ras-related C3 botulinum toxin substrate 1, Triple functional domain protein
著者Chen, C.-L, Ravala, S.K, Bandekar, S.J, Cash, J, Tesmer, J.J.G.
登録日2021-10-15
公開日2022-07-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Structural/functional studies of Trio provide insights into its configuration and show that conserved linker elements enhance its activity for Rac1.
J.Biol.Chem., 298, 2022
7SJ3
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BU of 7sj3 by Molmil
Structure of CDK4-Cyclin D3 bound to abemaciclib
分子名称: Cyclin-dependent kinase 4, G1/S-specific cyclin-D3, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine
著者Hilgers, M.T, Pelletier, L.A.
登録日2021-10-15
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structure of CDK4-Cyclin D3 bound to abemaciclib
To Be Published
7VOK
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BU of 7vok by Molmil
The Crystal structure of EF-Tu and GDP from Mycobacterium tuberculosis
分子名称: Elongation factor Tu, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Zhan, B.W, Li, J.X.
登録日2021-10-14
公開日2022-10-19
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural insights of the elongation factor EF-Tu complexes in protein translation of Mycobacterium tuberculosis.
Commun Biol, 5, 2022
7Q06
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BU of 7q06 by Molmil
Crystal structure of TPADO in complex with 2-OH-TPA
分子名称: 2-Hydroxyterephthalic acid, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E.
登録日2021-10-14
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Q05
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BU of 7q05 by Molmil
Crystal structure of TPADO in complex with TPA
分子名称: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Lysozyme, ...
著者Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E.
登録日2021-10-14
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Q04
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BU of 7q04 by Molmil
Crystal structure of TPADO in a substrate-free state
分子名称: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Lysozyme, ...
著者Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E.
登録日2021-10-14
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.281 Å)
主引用文献Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SIQ
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BU of 7siq by Molmil
Crystal structure of a peptide chain release factor 3 (prfC) from Stenotrophomonas maltophilia bound to GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, Peptide chain release factor 3
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-10-14
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structure of a peptide chain release factor 3 (prfC) from Stenotrophomonas maltophilia bound to GDP
To Be Published
7SIM
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BU of 7sim by Molmil
Structure of positive allosteric modulator-free active human calcium-sensing receptor
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, CALCIUM ION, ...
著者Park, J, Zuo, H, Frangaj, A, Fu, Z, Yen, L.Y, Zhang, Z, Mosyak, L, Slavkovich, V.N, Liu, J, Ray, K.M, Cao, B, Vallese, F, Geng, Y, Chen, S, Grassucci, R, Dandey, V.P, Tan, Y.Z, Eng, E, Lee, Y, Kloss, B, Liu, Z, Hendrickson, W.A, Potter, C.S, Carragher, B, Graziano, J, Conigrave, A.D, Frank, J, Clarke, O.B, Fan, Q.R.
登録日2021-10-14
公開日2022-01-19
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Symmetric activation and modulation of the human calcium-sensing receptor.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SIN
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BU of 7sin by Molmil
Structure of negative allosteric modulator-bound inactive human calcium-sensing receptor
分子名称: 2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile, Isoform 1 of Extracellular calcium-sensing receptor
著者Park, J, Zuo, H, Frangaj, A, Fu, Z, Yen, L.Y, Zhang, Z, Mosyak, L, Slavkovich, V.N, Liu, J, Ray, K.M, Cao, B, Vallese, F, Geng, Y, Chen, S, Grassucci, R, Dandey, V.P, Tan, Y.Z, Eng, E, Lee, Y, Kloss, B, Liu, Z, Hendrickson, W.A, Potter, C.S, Carragher, B, Graziano, J, Conigrave, A.D, Frank, J, Clarke, O.B, Fan, Q.R.
登録日2021-10-14
公開日2022-01-19
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Symmetric activation and modulation of the human calcium-sensing receptor.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SIL
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BU of 7sil by Molmil
Structure of positive allosteric modulator-bound active human calcium-sensing receptor
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, 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine, ...
著者Park, J, Zuo, H, Frangaj, A, Fu, Z, Yen, L.Y, Zhang, Z, Mosyak, L, Slavkovich, V.N, Liu, J, Ray, K.M, Cao, B, Vallese, F, Geng, Y, Chen, S, Grassucci, R, Dandey, V.P, Tan, Y.Z, Eng, E, Lee, Y, Kloss, B, Liu, Z, Hendrickson, W.A, Potter, C.S, Carragher, B, Graziano, J, Conigrave, A.D, Frank, J, Clarke, O.B, Fan, Q.R.
登録日2021-10-14
公開日2022-01-19
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Symmetric activation and modulation of the human calcium-sensing receptor.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SIU
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BU of 7siu by Molmil
Crystal structure of HPK1 (MAP4K1) complex with inhibitor A-745
分子名称: 6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION
著者Longenecker, K.L, Korepanova, A, Qiu, W.
登録日2021-10-14
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.786 Å)
主引用文献The HPK1 Inhibitor A-745 Verifies the Potential of Modulating T Cell Kinase Signaling for Immunotherapy.
Acs Chem.Biol., 17, 2022
7PZO
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BU of 7pzo by Molmil
mite allergen Der p 3 from Dermatophagoides pteronyssinus
分子名称: SULFATE ION, mite allergen Der p 3
著者Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Mikheeva, O.O, Kostromina, M.A, Lykoshin, D.D, Zayats, E.A, Zavriev, S.K, Esipov, R.S, Kuranova, I.P.
登録日2021-10-13
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural plasticity and thermal stability of the histone-like protein from Spiroplasma melliferum are due to phenylalanine insertions into the conservative scaffold.
J.Biomol.Struct.Dyn., 36, 2018
7VOE
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BU of 7voe by Molmil
Crystal structure of 5-HT2AR in complex with aripiprazole
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, ...
著者Chen, Z, Fan, L, Wang, H, Yu, J, Lu, D, Qi, J, Nie, F, Luo, Z, Liu, Z, Cheng, J, Wang, S.
登録日2021-10-13
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-based design of a novel third-generation antipsychotic drug lead with potential antidepressant properties.
Nat.Neurosci., 25, 2022
7VOD
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Crystal structure of 5-HT2AR in complex with cariprazine
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ...
著者Chen, Z, Fan, L, Wang, H, Yu, J, Lu, D, Qi, J, Nie, F, Luo, Z, Liu, Z, Cheng, J, Wang, S.
登録日2021-10-13
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure-based design of a novel third-generation antipsychotic drug lead with potential antidepressant properties.
Nat.Neurosci., 25, 2022

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