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5YSM
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Crystal Structure Analysis of Rif16
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y.
登録日2017-11-14
公開日2018-07-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Deciphering the late steps of rifamycin biosynthesis.
Nat Commun, 9, 2018
4OWC
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BU of 4owc by Molmil
PtI6 binding to HEWL
分子名称: CHLORIDE ION, IODIDE ION, Lysozyme C, ...
著者Tanley, S.W.M, Starkey, V.L, Lamplough, L, Kaenket, S, Helliwell, J.R.
登録日2014-01-31
公開日2014-09-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献The binding of platinum hexahalides (Cl, Br and I) to hen egg-white lysozyme and the chemical transformation of the PtI6 octahedral complex to a PtI3 moiety bound to His15.
Acta Crystallogr.,Sect.F, 70, 2014
5USP
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Insulin with proline analog Pip at position B28 in the T2 state
分子名称: Insulin Chain A, Insulin Chain B, SODIUM ION
著者Lieblich, S.A, Fang, K.Y, Tirrell, D.A.
登録日2017-02-13
公開日2018-02-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.174 Å)
主引用文献Insulin with proline analog Pip at position B28 in the T2 state
To Be Published
5YEH
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BU of 5yeh by Molmil
Crystal structure of CTCF ZFs4-8-eCBS
分子名称: DNA (5'-D(*AP*CP*GP*GP*TP*TP*TP*CP*CP*GP*CP*TP*AP*GP*AP*GP*GP*GP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*CP*CP*CP*TP*CP*TP*AP*GP*CP*GP*GP*AP*AP*AP*CP*CP*G)-3'), Transcriptional repressor CTCF, ...
著者Yin, M, Wang, J, Wang, M, Li, X, Wang, Y.
登録日2017-09-17
公開日2017-11-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.328 Å)
主引用文献Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites
Cell Res., 27, 2017
7CCV
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BU of 7ccv by Molmil
Crystal structure of death-associated protein kinase 1 in complex with piceatannol
分子名称: Death-associated protein kinase 1, PICEATANNOL, SULFATE ION
著者Yokoyama, T, Suzuki, R, Mizuguchi, M.
登録日2020-06-18
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.753 Å)
主引用文献Crystal structure of death-associated protein kinase 1 in complex with the dietary compound resveratrol.
Iucrj, 8, 2020
7CSZ
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Crystal structure of the N-terminal tandem RRM domains of RBM45 in complex with single-stranded DNA
分子名称: DNA (5'-D(*CP*GP*AP*CP*GP*GP*GP*AP*CP*GP*C)-3'), RNA-binding protein 45
著者Chen, X, Yang, Z, Wang, W, Wang, M.
登録日2020-08-17
公開日2021-02-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for RNA recognition by the N-terminal tandem RRM domains of human RBM45.
Nucleic Acids Res., 49, 2021
5USQ
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ALK-5 kinase inhibitor complex
分子名称: N-[2-(5-chloro-2-fluorophenyl)pyridin-4-yl]-2-[(piperidin-4-yl)methyl]-2H-pyrazolo[4,3-b]pyridin-7-amine, TGF-beta receptor type-1
著者Dougan, D.R, Lawson, J.D.
登録日2017-02-13
公開日2017-04-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Design, synthesis and optimization of 7-substituted-pyrazolo[4,3-b]pyridine ALK5 (activin receptor-like kinase 5) inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
8EZ8
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BU of 8ez8 by Molmil
Structure of 3C08 Fab in complex with A/Moscow/10/1999 (H3N2) influenza virus neuraminidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of influenza virus neuraminidase antibody 3C08, Light chain of influenza virus neuraminidase antibody 3C08, ...
著者Mou, Z, Lei, R, Wu, N.C, Dai, X.
登録日2022-10-31
公開日2023-11-08
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.78 Å)
主引用文献Leveraging vaccination-induced protective antibodies to define conserved epitopes on influenza N2 neuraminidase.
Immunity, 56, 2023
8EZ7
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Structure of 1F04 Fab in complex with A/Moscow/10/1999 (H3N2) influenza virus neuraminidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of influenza virus neuraminidase antibody 1F04, Light chain of influenza virus neuraminidase antibody 1F04, ...
著者Mou, Z, Lei, R, Wu, N.C, Dai, X.
登録日2022-10-31
公開日2023-11-08
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Leveraging vaccination-induced protective antibodies to define conserved epitopes on influenza N2 neuraminidase.
Immunity, 56, 2023
5YGX
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Structure of BACE1 in complex with N-(3-((4R,5R,6S)-2-amino-6-(1,1-difluoroethyl)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Nakahara, K, Fuchino, K, Komano, K, Asada, N, Tadano, G, Hasegawa, T, Yamamoto, T, Sako, Y, Ogawa, M, Unemura, C, Hosono, M, Sakaguchi, G, Ando, S, Ohnishi, S, Kido, Y, Fukushima, T, Dhuyvetter, D, Borghys, H, Gijsen, H, Yamano, Y, Iso, Y, Kusakabe, K.
登録日2017-09-27
公開日2018-08-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Potent and Centrally Active 6-Substituted 5-Fluoro-1,3-dihydro-oxazine beta-Secretase (BACE1) Inhibitors via Active Conformation Stabilization
J. Med. Chem., 61, 2018
5UT8
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Deoxy form of sperm whale myoglobin H64A
分子名称: GLYCEROL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Wang, B, Thomas, L.M, Richter-Addo, G.B.
登録日2017-02-14
公開日2018-02-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
5UTD
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Sperm whale myoglobin V68A/I107Y with nitrite
分子名称: Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Wang, B, Thomas, L.M, Richter-Addo, G.B.
登録日2017-02-14
公開日2018-02-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
8F9I
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H64A swMb-EtNO adduct
分子名称: Myoglobin, NITROSOETHANE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Herrera, V.E, Thomas, L.N.
登録日2022-11-23
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023
5YIB
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BU of 5yib by Molmil
Crystal Structure of KNI-10743 bound Plasmepsin II (PMII) from Plasmodium falciparum
分子名称: (4R)-3-[(2S,3S)-3-[2-[4-[2-(dimethylamino)ethyl-methyl-amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ...
著者Rathore, I, Mishra, V, Bhaumik, P.
登録日2017-10-03
公開日2018-07-11
最終更新日2019-05-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
6JS8
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Structure of the CYP102A1 Haem Domain with N-Dehydroabietoyl-L-Tryptophan
分子名称: (2S)-2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
著者Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
登録日2019-04-07
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6CWS
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The NMR solution structure of CCL28
分子名称: C-C motif chemokine 28
著者Thomas, M.A, Peterson, F.C, Volkman, B.F.
登録日2018-03-30
公開日2018-07-04
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The Solution Structure of CCL28 Reveals Structural Lability that Does Not Constrain Antifungal Activity.
J. Mol. Biol., 430, 2018
8EZ3
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Structure of 3A10 Fab in complex with A/Moscow/10/1999 (H3N2) influenza virus neuraminidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of influenza virus neuraminidase antibody 3A10, Light chain of influenza virus neuraminidase antibody 3A10, ...
著者Mou, Z, Lei, R, Wu, N.C, Dai, X.
登録日2022-10-31
公開日2023-11-08
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Leveraging vaccination-induced protective antibodies to define conserved epitopes on influenza N2 neuraminidase.
Immunity, 56, 2023
5YL3
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BU of 5yl3 by Molmil
Crystal structure of horse heart myoglobin reconstituted with manganese porphycene in resting state at pH 8.5
分子名称: Myoglobin, PORPHYCENE CONTAINING MN, SULFATE ION
著者Oohora, K, Meichin, H, Kihira, Y, Sugimoto, H, Shiro, Y, Hayashi, T.
登録日2017-10-17
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Manganese(V) Porphycene Complex Responsible for Inert C-H Bond Hydroxylation in a Myoglobin Matrix.
J. Am. Chem. Soc., 139, 2017
5UN2
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BU of 5un2 by Molmil
Crystal Structure of Mouse Cadherin-23 EC19-21 with non-syndromic deafness (DFNB12) associated mutation R2029W
分子名称: CALCIUM ION, Cadherin-23, POTASSIUM ION
著者Jaiganesh, A, Sotomayor, M.
登録日2017-01-30
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Zooming in on Cadherin-23: Structural Diversity and Potential Mechanisms of Inherited Deafness.
Structure, 26, 2018
7CCW
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Crystal structure of death-associated protein kinase 1 in complex with resveratrol and MES
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Death-associated protein kinase 1, RESVERATROL, ...
著者Yokoyama, T, Suzuki, R, Mizuguchi, M.
登録日2020-06-18
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of death-associated protein kinase 1 in complex with the dietary compound resveratrol.
Iucrj, 8, 2020
5YHL
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Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and an antagonist Br-derivative
分子名称: 4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid, Heavy chain of Fab fragment, Light chain of Fab fragment, ...
著者Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T.
登録日2017-09-28
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
6CHA
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STRUCTURE OF A TETRAHEDRAL TRANSITION STATE COMPLEX OF ALPHA-*CHYMOTRYPSIN AT 1.8-*ANGSTROMS RESOLUTION
分子名称: ALPHA-CHYMOTRYPSIN A, PHENYLETHANE BORONIC ACID
著者Tulinsky, A, Blevins, R.A.
登録日1987-02-06
公開日1987-04-16
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of a tetrahedral transition state complex of alpha-chymotrypsin dimer at 1.8-A resolution.
J.Biol.Chem., 262, 1987
5UOR
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Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure
分子名称: 6-{[(2S)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one, Mitogen-activated protein kinase kinase kinase 5, SULFATE ION
著者Dougan, D.R.
登録日2017-02-01
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.
ACS Med Chem Lett, 8, 2017
6D3Z
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Protease SFTI complex
分子名称: Plasminogen, Trypsin inhibitor 1
著者Law, R.H.P, Wu, G.
登録日2018-04-17
公開日2019-01-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma.
J. Med. Chem., 62, 2019
6JK4
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Ca2+-dependent type II antifreeze protein
分子名称: CALCIUM ION, Type II antifreeze protein
著者Arai, T, Tsuda, S, Kondo, H, Nishimiya, Y.
登録日2019-02-27
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Calcium-Binding Generates the Semi-Clathrate Waters on a Type II Antifreeze Protein to Adsorb onto an Ice Crystal Surface.
Biomolecules, 9, 2019

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