5YSM
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![BU of 5ysm by Molmil](/molmil-images/mine/5ysm) | Crystal Structure Analysis of Rif16 | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y. | Deposit date: | 2017-11-14 | Release date: | 2018-07-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Deciphering the late steps of rifamycin biosynthesis. Nat Commun, 9, 2018
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4OWC
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![BU of 4owc by Molmil](/molmil-images/mine/4owc) | PtI6 binding to HEWL | Descriptor: | CHLORIDE ION, IODIDE ION, Lysozyme C, ... | Authors: | Tanley, S.W.M, Starkey, V.L, Lamplough, L, Kaenket, S, Helliwell, J.R. | Deposit date: | 2014-01-31 | Release date: | 2014-09-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | 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
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5USP
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![BU of 5usp by Molmil](/molmil-images/mine/5usp) | |
7CCV
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![BU of 7ccv by Molmil](/molmil-images/mine/7ccv) | |
5YEH
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![BU of 5yeh by Molmil](/molmil-images/mine/5yeh) | Crystal structure of CTCF ZFs4-8-eCBS | Descriptor: | 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, ... | Authors: | Yin, M, Wang, J, Wang, M, Li, X, Wang, Y. | Deposit date: | 2017-09-17 | Release date: | 2017-11-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.328 Å) | Cite: | Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites Cell Res., 27, 2017
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7CSZ
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![BU of 7csz by Molmil](/molmil-images/mine/7csz) | Crystal structure of the N-terminal tandem RRM domains of RBM45 in complex with single-stranded DNA | Descriptor: | DNA (5'-D(*CP*GP*AP*CP*GP*GP*GP*AP*CP*GP*C)-3'), RNA-binding protein 45 | Authors: | Chen, X, Yang, Z, Wang, W, Wang, M. | Deposit date: | 2020-08-17 | Release date: | 2021-02-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for RNA recognition by the N-terminal tandem RRM domains of human RBM45. Nucleic Acids Res., 49, 2021
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5USQ
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![BU of 5usq by Molmil](/molmil-images/mine/5usq) | ALK-5 kinase inhibitor complex | Descriptor: | 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 | Authors: | Dougan, D.R, Lawson, J.D. | Deposit date: | 2017-02-13 | Release date: | 2017-04-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | 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
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8EZ8
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![BU of 8ez8 by Molmil](/molmil-images/mine/8ez8) | Structure of 3C08 Fab in complex with A/Moscow/10/1999 (H3N2) influenza virus neuraminidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of influenza virus neuraminidase antibody 3C08, Light chain of influenza virus neuraminidase antibody 3C08, ... | Authors: | Mou, Z, Lei, R, Wu, N.C, Dai, X. | Deposit date: | 2022-10-31 | Release date: | 2023-11-08 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | Leveraging vaccination-induced protective antibodies to define conserved epitopes on influenza N2 neuraminidase. Immunity, 56, 2023
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8EZ7
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![BU of 8ez7 by Molmil](/molmil-images/mine/8ez7) | Structure of 1F04 Fab in complex with A/Moscow/10/1999 (H3N2) influenza virus neuraminidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of influenza virus neuraminidase antibody 1F04, Light chain of influenza virus neuraminidase antibody 1F04, ... | Authors: | Mou, Z, Lei, R, Wu, N.C, Dai, X. | Deposit date: | 2022-10-31 | Release date: | 2023-11-08 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Leveraging vaccination-induced protective antibodies to define conserved epitopes on influenza N2 neuraminidase. Immunity, 56, 2023
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5YGX
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![BU of 5ygx by Molmil](/molmil-images/mine/5ygx) | 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 | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | 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. | Deposit date: | 2017-09-27 | Release date: | 2018-08-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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
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5UT8
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![BU of 5ut8 by Molmil](/molmil-images/mine/5ut8) | Deoxy form of sperm whale myoglobin H64A | Descriptor: | GLYCEROL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2017-02-14 | Release date: | 2018-02-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | 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
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5UTD
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![BU of 5utd by Molmil](/molmil-images/mine/5utd) | Sperm whale myoglobin V68A/I107Y with nitrite | Descriptor: | Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2017-02-14 | Release date: | 2018-02-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | 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
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8F9I
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![BU of 8f9i by Molmil](/molmil-images/mine/8f9i) | H64A swMb-EtNO adduct | Descriptor: | Myoglobin, NITROSOETHANE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Herrera, V.E, Thomas, L.N. | Deposit date: | 2022-11-23 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives. Biochemistry, 62, 2023
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5YIB
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![BU of 5yib by Molmil](/molmil-images/mine/5yib) | Crystal Structure of KNI-10743 bound Plasmepsin II (PMII) from Plasmodium falciparum | Descriptor: | (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, ... | Authors: | Rathore, I, Mishra, V, Bhaumik, P. | Deposit date: | 2017-10-03 | Release date: | 2018-07-11 | Last modified: | 2019-05-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights. Febs J., 285, 2018
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6JS8
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![BU of 6js8 by Molmil](/molmil-images/mine/6js8) | Structure of the CYP102A1 Haem Domain with N-Dehydroabietoyl-L-Tryptophan | Descriptor: | (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, ... | Authors: | Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | Deposit date: | 2019-04-07 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
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6CWS
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![BU of 6cws by Molmil](/molmil-images/mine/6cws) | |
5UN2
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8EZ3
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![BU of 8ez3 by Molmil](/molmil-images/mine/8ez3) | Structure of 3A10 Fab in complex with A/Moscow/10/1999 (H3N2) influenza virus neuraminidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of influenza virus neuraminidase antibody 3A10, Light chain of influenza virus neuraminidase antibody 3A10, ... | Authors: | Mou, Z, Lei, R, Wu, N.C, Dai, X. | Deposit date: | 2022-10-31 | Release date: | 2023-11-08 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Leveraging vaccination-induced protective antibodies to define conserved epitopes on influenza N2 neuraminidase. Immunity, 56, 2023
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5YL3
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![BU of 5yl3 by Molmil](/molmil-images/mine/5yl3) | Crystal structure of horse heart myoglobin reconstituted with manganese porphycene in resting state at pH 8.5 | Descriptor: | Myoglobin, PORPHYCENE CONTAINING MN, SULFATE ION | Authors: | Oohora, K, Meichin, H, Kihira, Y, Sugimoto, H, Shiro, Y, Hayashi, T. | Deposit date: | 2017-10-17 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Manganese(V) Porphycene Complex Responsible for Inert C-H Bond Hydroxylation in a Myoglobin Matrix. J. Am. Chem. Soc., 139, 2017
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7CCW
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![BU of 7ccw by Molmil](/molmil-images/mine/7ccw) | Crystal structure of death-associated protein kinase 1 in complex with resveratrol and MES | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Death-associated protein kinase 1, RESVERATROL, ... | Authors: | Yokoyama, T, Suzuki, R, Mizuguchi, M. | Deposit date: | 2020-06-18 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of death-associated protein kinase 1 in complex with the dietary compound resveratrol. Iucrj, 8, 2020
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5YHL
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![BU of 5yhl by Molmil](/molmil-images/mine/5yhl) | Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and an antagonist Br-derivative | Descriptor: | 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, ... | Authors: | Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T. | Deposit date: | 2017-09-28 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface. Nat. Chem. Biol., 15, 2019
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6CHA
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5UOR
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![BU of 5uor by Molmil](/molmil-images/mine/5uor) | Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure | Descriptor: | 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 | Authors: | Dougan, D.R. | Deposit date: | 2017-02-01 | Release date: | 2017-06-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure. ACS Med Chem Lett, 8, 2017
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6D3Z
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![BU of 6d3z by Molmil](/molmil-images/mine/6d3z) | Protease SFTI complex | Descriptor: | Plasminogen, Trypsin inhibitor 1 | Authors: | Law, R.H.P, Wu, G. | Deposit date: | 2018-04-17 | Release date: | 2019-01-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma. J. Med. Chem., 62, 2019
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6JK4
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![BU of 6jk4 by Molmil](/molmil-images/mine/6jk4) | Ca2+-dependent type II antifreeze protein | Descriptor: | CALCIUM ION, Type II antifreeze protein | Authors: | Arai, T, Tsuda, S, Kondo, H, Nishimiya, Y. | Deposit date: | 2019-02-27 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | 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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