7TBC
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![BU of 7tbc by Molmil](/molmil-images/mine/7tbc) | Crystal structure of Plasmepsin X from Plasmodium falciparum in complex with WM382 | Descriptor: | (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Christensen, J.B, Hodder, A.N, Scally, S.W, Cowman, A.F. | Deposit date: | 2021-12-21 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax. Structure, 30, 2022
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4NT4
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![BU of 4nt4 by Molmil](/molmil-images/mine/4nt4) | Crystal structure of the kinase domain of Gilgamesh isoform I from Drosophila melanogaster | Descriptor: | GLYCEROL, Gilgamesh, isoform I, ... | Authors: | Chen, C.C, Shi, Z.B, Zhou, Z.C. | Deposit date: | 2013-11-30 | Release date: | 2014-04-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Structure of the kinase domain of Gilgamesh from Drosophila melanogaster Acta Crystallogr.,Sect.F, 70, 2014
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8EPV
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![BU of 8epv by Molmil](/molmil-images/mine/8epv) | 2.2 A crystal structure of the lipocalin cat allergen Fel d 7 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Fel d 7 allergen, ... | Authors: | Min, J, Pedersen, L.C, Geoffrey, M.A. | Deposit date: | 2022-10-06 | Release date: | 2023-04-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural and ligand binding analysis of the pet allergens Can f 1 and Fel d 7. Front Allergy, 4, 2023
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5YHJ
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![BU of 5yhj by Molmil](/molmil-images/mine/5yhj) | Cytochrome P450EX alpha (CYP152N1) wild-type with myristic acid | Descriptor: | Cytochrome P450, MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Onoda, H, Shoji, O, Suzuki, K, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2017-09-28 | Release date: | 2017-12-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Alpha-Oxidative Decarboxylation of Fatty Acids Catalysed by Cytochrome P450 Peroxygenases Yielding Shorter-Alkyl-Chain Fatty Acids Catalysis Science And Technology, 2017
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7TBE
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![BU of 7tbe by Molmil](/molmil-images/mine/7tbe) | Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide, Plasmepsin X, ... | Authors: | Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F. | Deposit date: | 2021-12-21 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax. Structure, 30, 2022
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7KU1
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![BU of 7ku1 by Molmil](/molmil-images/mine/7ku1) | Data clustering and dynamics of chymotrypsinogen cluster 139 (green) structure | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7KU3
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![BU of 7ku3 by Molmil](/molmil-images/mine/7ku3) | Data clustering and dynamics of chymotrypsinogen cluster 141 (cyan) structure | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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4NKW
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![BU of 4nkw by Molmil](/molmil-images/mine/4nkw) | |
7KTZ
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![BU of 7ktz by Molmil](/molmil-images/mine/7ktz) | Data clustering and dynamics of chymotrypsinogen cluster 131 (purple) structure | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7L26
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![BU of 7l26 by Molmil](/molmil-images/mine/7l26) | HPK1 IN COMPLEX WITH COMPOUND 38 | Descriptor: | 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2020-12-16 | Release date: | 2021-03-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of Potent Reverse Indazole Inhibitors for HPK1. Acs Med.Chem.Lett., 12, 2021
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7KTY
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![BU of 7kty by Molmil](/molmil-images/mine/7kty) | Data clustering and dynamics of chymotrypsinogen average structure | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Shi, W, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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4NFM
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![BU of 4nfm by Molmil](/molmil-images/mine/4nfm) | Human tau tubulin kinase 1 (TTBK1) | Descriptor: | GLYCEROL, Tau-tubulin kinase 1 | Authors: | Sheriff, S. | Deposit date: | 2013-10-31 | Release date: | 2014-02-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitor. Acta Crystallogr F Struct Biol Commun, 70, 2014
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5YJP
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![BU of 5yjp by Molmil](/molmil-images/mine/5yjp) | Human chymase in complex with 3-(ethoxyimino)-7-oxo-1,4-diazepane derivative | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-3-(ethoxyimino)-7-oxo-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ... | Authors: | Sugawara, H. | Deposit date: | 2017-10-11 | Release date: | 2017-12-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors Bioorg. Med. Chem. Lett., 28, 2018
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5YGY
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![BU of 5ygy by Molmil](/molmil-images/mine/5ygy) | Crystal Structure of BACE1 in complex with (S)-N-(3-(2-amino-6-(fluoromethyl)-4 -methyl-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-cyanopicolinamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Fuchino, K, Mitsuoka, Y, Masui, M, Kurose, N, Yoshida, S, Komano, K, Yamamoto, T, Ogawa, M, Unemura, C, Hosono, M, Ito, H, Sakaguchi, G, Ando, S, Ohnishi, S, Kido, Y, Fukushima, T, Miyajima, H, Hiroyama, S, Koyabu, K, Dhuyvetter, D, Borghys, H, Gijsen, H, Yamano, Y, Iso, Y, Kusakabe, K. | Deposit date: | 2017-09-27 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational Design of Novel 1,3-Oxazine Based beta-Secretase (BACE1) Inhibitors: Incorporation of a Double Bond To Reduce P-gp Efflux Leading to Robust A beta Reduction in the Brain J. Med. Chem., 61, 2018
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7TBD
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![BU of 7tbd by Molmil](/molmil-images/mine/7tbd) | Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM382 | Descriptor: | (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F. | Deposit date: | 2021-12-21 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax. Structure, 30, 2022
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4NGJ
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![BU of 4ngj by Molmil](/molmil-images/mine/4ngj) | Dialyzed HEW lysozyme batch crystallized in 1.0 M RbCl and collected at 100 K | Descriptor: | CHLORIDE ION, Lysozyme C, RUBIDIUM ION | Authors: | Benas, P, Legrand, L, Ries-Kautt, M. | Deposit date: | 2013-11-02 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry. Acta Crystallogr.,Sect.D, 70, 2014
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5YIA
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![BU of 5yia by Molmil](/molmil-images/mine/5yia) | Crystal Structure of KNI-10343 bound Plasmepsin II (PMII) from Plasmodium falciparum | Descriptor: | (4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-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, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, GLYCEROL, ... | 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 Å) | Cite: | Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights. Febs J., 285, 2018
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8F36
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![BU of 8f36 by Molmil](/molmil-images/mine/8f36) | |
5YL7
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![BU of 5yl7 by Molmil](/molmil-images/mine/5yl7) | Proteases from Pseudoalteromonas arctica PAMC 21717 (Pro21717) | Descriptor: | CALCIUM ION, Copurified unknown peptide, Pseudoalteromonas arctica PAMC 21717 | Authors: | Lee, J.H, Lee, C.W. | Deposit date: | 2017-10-17 | Release date: | 2018-01-31 | Last modified: | 2018-09-12 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of a cold-active protease (Pro21717) from the psychrophilic bacterium, Pseudoalteromonas arctica PAMC 21717, at 1.4 angstrom resolution: Structural adaptations to cold and functional analysis of a laundry detergent enzyme PLoS ONE, 13, 2018
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7L24
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![BU of 7l24 by Molmil](/molmil-images/mine/7l24) | HPK1 IN COMPLEX WITH COMPOUND 11 | Descriptor: | 6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2020-12-16 | Release date: | 2021-03-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Identification of Potent Reverse Indazole Inhibitors for HPK1. Acs Med.Chem.Lett., 12, 2021
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7TBB
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![BU of 7tbb by Molmil](/molmil-images/mine/7tbb) | Crystal structure of Plasmepsin X from Plasmodium falciparum | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ... | Authors: | Christensen, J.B, Hodder, A.N, Dietrich, M.H, Scally, S.W, Cowman, A.F. | Deposit date: | 2021-12-21 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax. Structure, 30, 2022
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7L0F
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![BU of 7l0f by Molmil](/molmil-images/mine/7l0f) | Monobody 12VC3 Bound to HRAS(WT) | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase HRas, MAGNESIUM ION, ... | Authors: | Teng, K.W, Hattori, T, Tsai, S, Koide, S. | Deposit date: | 2020-12-11 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Selective and noncovalent targeting of RAS mutants for inhibition and degradation. Nat Commun, 12, 2021
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7L25
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![BU of 7l25 by Molmil](/molmil-images/mine/7l25) | HPK1 IN COMPLEX WITH COMPOUND 18 | Descriptor: | 1,2-ETHANEDIOL, 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2020-12-16 | Release date: | 2021-03-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Identification of Potent Reverse Indazole Inhibitors for HPK1. Acs Med.Chem.Lett., 12, 2021
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6J94
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![BU of 6j94 by Molmil](/molmil-images/mine/6j94) | Crystal structure of CYP97A3 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Protein LUTEIN DEFICIENT 5, chloroplastic | Authors: | Niu, G, Guo, Q, Wang, J, Zhao, S. | Deposit date: | 2019-01-22 | Release date: | 2020-01-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Structural basis for plant lutein biosynthesis from alpha-carotene. Proc.Natl.Acad.Sci.USA, 117, 2020
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7BYO
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![BU of 7byo by Molmil](/molmil-images/mine/7byo) | Lysozyme structure SS1 from SS mode | Descriptor: | Lysozyme C | Authors: | Kang, H.S, Lee, S.J. | Deposit date: | 2020-04-24 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range Nat Photonics, 2021
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