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8F1J
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BU of 8f1j by Molmil
SigN RNA polymerase early-melted intermediate bound to mismatch DNA fragment dhsU36mm2 (-12A)
分子名称: DNA (36-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Mueller, A.U, Chen, J, Darst, S.A.
登録日2022-11-05
公開日2023-04-05
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献A general mechanism for transcription bubble nucleation in bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
8F1K
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BU of 8f1k by Molmil
SigN RNA polymerase early-melted intermediate bound to full duplex DNA fragment dhsU36 (-12T)
分子名称: DNA (36-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Mueller, A.U, Chen, J, Darst, S.A.
登録日2022-11-05
公開日2023-04-05
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献A general mechanism for transcription bubble nucleation in bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
5X6N
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BU of 5x6n by Molmil
Structure of P. Knowlesi DBL Domain Capable of binding Human Duffy Antigen
分子名称: Duffy binding protein, SULFATE ION, octyl beta-D-glucopyranoside
著者Singh, S.K, Hora, R, Belrhali, H, Chitnis, C, Sharma, A.
登録日2017-02-22
公開日2017-03-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for Duffy recognition by the malaria parasite Duffy-binding-like domain
Nature, 439, 2006
5UWC
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Cytokine-receptor complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ...
著者Broughton, S.E, Parker, M.W.
登録日2017-02-21
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A dual role for the N-terminal domain of the IL-3 receptor in cell signalling.
Nat Commun, 9, 2018
7ZWB
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BU of 7zwb by Molmil
human Carbonic Anhydrase II in complex with 4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)benzenesulfonamide
分子名称: 4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2022-05-19
公開日2023-05-31
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献First-in-Class Dual Targeting Compounds for the Management of Seizures in Glucose Transporter Type 1 Deficiency Syndrome.
J.Med.Chem., 66, 2023
2GIW
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BU of 2giw by Molmil
SOLUTION STRUCTURE OF REDUCED HORSE HEART CYTOCHROME C, NMR, 40 STRUCTURES
分子名称: CYTOCHROME C, HEME C
著者Banci, L, Bertini, I, Huber, J.G, Spyroulias, G.A, Turano, P.
登録日1998-06-25
公開日1998-12-09
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Solution structure of reduced horse heart cytochrome c.
J.Biol.Inorg.Chem., 4, 1999
8OKL
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BU of 8okl by Molmil
Crystal structure of F2F-2020185-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
著者Costanzi, E, Demitri, N, Storici, P.
登録日2023-03-28
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
8OKM
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Crystal structure of F2F-2020197-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
著者Costanzi, E, Demitri, N, Storici, P.
登録日2023-03-28
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
8OKN
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BU of 8okn by Molmil
Crystal structure of F2F-2020198-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
著者Costanzi, E, Demitri, N, Storici, P.
登録日2023-03-28
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
8OKK
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Crystal structure of F2F-2020184-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
著者Costanzi, E, Demitri, N, Storici, P.
登録日2023-03-28
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
8SH4
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BU of 8sh4 by Molmil
Crystal structure of the tRNA (m1G37) methyltransferase apoenzyme from Anaplasma phagocytophilum
分子名称: GLYCEROL, tRNA (guanine-N(1)-)-methyltransferase
著者Jannotta, C, Edele, D, Levanti, D, Carson, M, Prucha, G, Caesar, J, Picchiello, C, Collins, K, Garland, E, Handley-Pendleton, J, Hernandez, V, Leffler, S, Williams, D, Stojanoff, V, Perez, A, Halloran, J, Bolen, R.
登録日2023-04-13
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of the m1G37 tRNA methyltransferase apoenzyme from Anaplasma phagocytophilum
To Be Published
8T7V
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BU of 8t7v by Molmil
Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-(furan-2-yl)-2-hydroxy-1-naphthaldehyde)
分子名称: (7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
著者Bruystens, J.G.H.
登録日2023-06-21
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Acs Pharmacol Transl Sci, 6, 2023
8TJA
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BU of 8tja by Molmil
CRYSTAL STRUCTURE OF THE A/Ecuador/1374/2016(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Wu, N.C, Zhu, X, Wilson, I.A.
登録日2023-07-20
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
8TJ7
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BU of 8tj7 by Molmil
CRYSTAL STRUCTURE OF THE A/Shandong/9/1993(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN
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, Hemagglutinin HA1 chain, ...
著者Wu, N.C, Zhu, X, Wilson, I.A.
登録日2023-07-20
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
8TJB
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BU of 8tjb by Molmil
CRYSTAL STRUCTURE OF THE A/Texas/73/2017(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN
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, Hemagglutinin HA1 chain, ...
著者Wu, N.C, Zhu, X, Wilson, I.A.
登録日2023-07-20
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
8TJ6
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BU of 8tj6 by Molmil
CRYSTAL STRUCTURE OF THE A/Beijing/353/1989(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLN
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, N.C, Zhu, X, Wilson, I.A.
登録日2023-07-20
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
6HWM
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BU of 6hwm by Molmil
Structure of Thermus thermophilus ClpP in complex with bortezomib
分子名称: ATP-dependent Clp protease proteolytic subunit, DI(HYDROXYETHYL)ETHER, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
著者Felix, J, Schanda, P, Fraga, H, Morlot, C.
登録日2018-10-12
公開日2019-09-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mechanism of the allosteric activation of the ClpP protease machinery by substrates and active-site inhibitors.
Sci Adv, 5, 2019
5LCP
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Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with Fasudil (M77)
分子名称: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, DIMETHYL SULFOXIDE, METHANOL, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-06-22
公開日2018-01-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.433 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with Fasudil (M77)
To Be Published
5LCT
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Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a R-methyl-piperazine substituted Fasudil-derivative (Ligand 02)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[(2~{R})-2-methylpiperazin-1-yl]sulfonylisoquinoline, METHANOL, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-06-22
公開日2018-01-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.615 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5LCU
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BU of 5lcu by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a S-methyl-piperazine substituted Fasudil-derivative (Ligand 01)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE, METHANOL, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-06-22
公開日2018-01-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.579 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
6HWN
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BU of 6hwn by Molmil
Structure of Thermus thermophilus ClpP in complex with a tripeptide.
分子名称: ATP-dependent Clp protease proteolytic subunit, DI(HYDROXYETHYL)ETHER, Unknown tripeptide
著者Felix, J, Schanda, P, Fraga, H, Morlot, C.
登録日2018-10-12
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanism of the allosteric activation of the ClpP protease machinery by substrates and active-site inhibitors.
Sci Adv, 5, 2019
8SU8
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Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-(furan-2-yl)-2-hydroxy-1-naphthaldehyde).
分子名称: (6P)-6-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
著者Bruystens, J.G.H.
登録日2023-05-11
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Acs Pharmacol Transl Sci, 6, 2023
8T09
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BU of 8t09 by Molmil
Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-ethynyl-2-hydroxy-1-naphthaldehyde)
分子名称: 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
著者Bruystens, J.G.H.
登録日2023-05-31
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Acs Pharmacol Transl Sci, 6, 2023
1FXR
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BU of 1fxr by Molmil
CRYSTAL STRUCTURE OF THE FERREDOXIN I FROM DESULFOVIBRIO AFRICANUS AT 2.3 ANGSTROMS RESOLUTION
分子名称: FERREDOXIN I, IRON/SULFUR CLUSTER, SULFATE ION
著者Frey, M, Roth, M.
登録日1994-11-14
公開日1995-01-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the ferredoxin I from Desulfovibrio africanus at 2.3 A resolution.
Biochemistry, 33, 1994
5LCR
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BU of 5lcr by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with open-chain Fasudil-derivative (Ligand 04)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium, METHANOL, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-06-22
公開日2018-01-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.565 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published

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