7T80
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8ELY
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![BU of 8ely by Molmil](/molmil-images/mine/8ely) | HRAS R97M Crystal Form 2 | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Johnson, C.W, Mattos, C. | Deposit date: | 2022-09-26 | Release date: | 2023-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Allosteric site variants affect GTP hydrolysis on Ras. Protein Sci., 32, 2023
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8ELZ
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![BU of 8elz by Molmil](/molmil-images/mine/8elz) | HRAS R97M Crystal Form 1 | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GTPase HRas, ... | Authors: | Johnson, C.W, Mattos, C. | Deposit date: | 2022-09-26 | Release date: | 2023-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.961 Å) | Cite: | Allosteric site variants affect GTP hydrolysis on Ras. Protein Sci., 32, 2023
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7SZ8
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7T3S
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5YKY
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![BU of 5yky by Molmil](/molmil-images/mine/5yky) | Crystal Structure of Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked with 10 mM Rose Bengal and 10mM H2PtCl6 | Descriptor: | CHLORIDE ION, Lysozyme C, PLATINUM (II) ION, ... | Authors: | Tabe, H, Takahashi, H, Shimoi, T, Abe, S, Ueno, T, Yamada, Y. | Deposit date: | 2017-10-16 | Release date: | 2018-09-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Photocatalytic hydrogen evolution systems constructed in cross-linked porous protein crystals Appl Catal B, 237, 2018
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8EJN
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![BU of 8ejn by Molmil](/molmil-images/mine/8ejn) | Structure of dehaloperoxidase A in complex with 2,4-dichlorophenol | Descriptor: | 2,4-dichlorophenol, DIMETHYL SULFOXIDE, Dehaloperoxidase A, ... | Authors: | Aktar, M.S, de Serrano, V.S, Franzen, S. | Deposit date: | 2022-09-17 | Release date: | 2023-08-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.481 Å) | Cite: | Comparative study of the binding and activation of 2,4-dichlorophenol by dehaloperoxidase A and B. J.Inorg.Biochem., 247, 2023
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4O6E
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![BU of 4o6e by Molmil](/molmil-images/mine/4o6e) | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2 | Descriptor: | Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide | Authors: | Yin, J, Wang, W. | Deposit date: | 2013-12-20 | Release date: | 2014-05-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2. Bioorg.Med.Chem.Lett., 24, 2014
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7T1E
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![BU of 7t1e by Molmil](/molmil-images/mine/7t1e) | Structure of monomeric and dimeric human CCL20 | Descriptor: | C-C motif chemokine 20, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Peterson, F.C, Riutta, S.J, Volkman, B.F. | Deposit date: | 2021-12-01 | Release date: | 2022-12-14 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.459 Å) | Cite: | The Chemokine, CCL20, and Its Receptor, CCR6, in the Pathogenesis and Treatment of Psoriasis and Psoriatic Arthritis J Psoriasis Psoriatic Arthritis, 8, 2023
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6J84
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![BU of 6j84 by Molmil](/molmil-images/mine/6j84) | Crystal structure of TleB with hydroxyl analog | Descriptor: | (2S)-2-hydroxy-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methylbutanamide, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Nakamura, H, Mori, T, Abe, I. | Deposit date: | 2019-01-18 | Release date: | 2019-08-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis. Nat.Chem.Biol., 15, 2019
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6CMM
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![BU of 6cmm by Molmil](/molmil-images/mine/6cmm) | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | dos Reis, C.V, de Souza, G.P, Counago, R.M, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-05 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor To Be Published
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8ELS
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![BU of 8els by Molmil](/molmil-images/mine/8els) | HRAS R97A Crystal Form 1 R-state | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Davis, D, Johnson, C.W, Mattos, C. | Deposit date: | 2022-09-26 | Release date: | 2023-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.267 Å) | Cite: | Allosteric site variants affect GTP hydrolysis on Ras. Protein Sci., 32, 2023
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5Y5K
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![BU of 5y5k by Molmil](/molmil-images/mine/5y5k) | Time-resolved SFX structure of cytochrome P450nor : 20 ms after photo-irradiation of caged NO in the absence of NADH (NO-bound state), light data | Descriptor: | NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M. | Deposit date: | 2017-08-09 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate. Nat Commun, 8, 2017
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8EJO
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![BU of 8ejo by Molmil](/molmil-images/mine/8ejo) | Crystal structure of the homeodomain of Platypus sDUX in complex with DNA | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), ... | Authors: | Yin, L.L, Shi, K, Aihara, H. | Deposit date: | 2022-09-18 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Antagonism among DUX family members evolved from an ancestral toxic single homeodomain protein. Iscience, 26, 2023
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5U7R
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![BU of 5u7r by Molmil](/molmil-images/mine/5u7r) | Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones | Descriptor: | (1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one, Rho-associated protein kinase 2 | Authors: | Hoffman, I.D, Skene, R.J. | Deposit date: | 2016-12-12 | Release date: | 2017-03-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.33 Å) | Cite: | Identification of a new class of potent Cdc7 inhibitors designed by putative pharmacophore model: Synthesis and biological evaluation of 2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-ones. Bioorg. Med. Chem., 25, 2017
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8EJP
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![BU of 8ejp by Molmil](/molmil-images/mine/8ejp) | Crystal structure of the homeodomain of Platypus sDUX in complex with DNA containing 5-Bromouracil | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), ... | Authors: | Yin, L.L, Shi, K, Aihara, H. | Deposit date: | 2022-09-18 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.174 Å) | Cite: | Antagonism among DUX family members evolved from an ancestral toxic single homeodomain protein. Iscience, 26, 2023
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8EIE
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![BU of 8eie by Molmil](/molmil-images/mine/8eie) | KRAS4b K117N 1-185 bound to GNP-Mg2+ | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Betts, L, Rossman, K.L. | Deposit date: | 2022-09-14 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | A crystallographic view of the fast-cycling KRAS mutant, K117N To Be Published
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7C65
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![BU of 7c65 by Molmil](/molmil-images/mine/7c65) | Crystal structure of thioredoxin m1 | Descriptor: | SODIUM ION, Thioredoxin M1, chloroplastic | Authors: | Kurisu, G, Juniar, L, Tanaka, H. | Deposit date: | 2020-05-21 | Release date: | 2020-10-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural basis for thioredoxin isoform-based fine-tuning of ferredoxin-thioredoxin reductase activity. Protein Sci., 29, 2020
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5Y80
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![BU of 5y80 by Molmil](/molmil-images/mine/5y80) | Complex structure of cyclin G-associated kinase with gefitinib | Descriptor: | Cyclin-G-associated kinase, Gefitinib, NANOBODY | Authors: | Ohbayashi, N, Murayama, K, Kato-Murayama, M, Shirouzu, M. | Deposit date: | 2017-08-18 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for the Inhibition of Cyclin G-Associated Kinase by Gefitinib. ChemistryOpen, 7, 2018
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7TAM
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5Y90
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![BU of 5y90 by Molmil](/molmil-images/mine/5y90) | MAP2K7 mutant -C218S | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 7, GLYCEROL | Authors: | Kinoshita, T, Hashimoto, T, Sogabe, Y, Matsumoto, T, Sawa, M, Fukada, H. | Deposit date: | 2017-08-22 | Release date: | 2017-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High-resolution structure discloses the potential for allosteric regulation of mitogen-activated protein kinase kinase 7 Biochem. Biophys. Res. Commun., 493, 2017
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5UHV
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![BU of 5uhv by Molmil](/molmil-images/mine/5uhv) | wild-type NRas bound to GppNHp | Descriptor: | GLYCEROL, GTPase NRas, MAGNESIUM ION, ... | Authors: | Reid, D, Johnson, C, Salter, S, Mattos, C. | Deposit date: | 2017-01-12 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.672 Å) | Cite: | The small GTPases K-Ras, N-Ras, and H-Ras have distinct biochemical properties determined by allosteric effects. J. Biol. Chem., 292, 2017
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5UGD
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![BU of 5ugd by Molmil](/molmil-images/mine/5ugd) | Protease Inhibitor | Descriptor: | Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(pyridin-4-yl)methyl]-L-tyrosinamide, Plasminogen | Authors: | Law, R.H.P, Wu, G, Whisstock, J.C. | Deposit date: | 2017-01-08 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | X-ray crystal structure of plasmin with tranexamic acid-derived active site inhibitors. Blood Adv, 1, 2017
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7CCU
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5UCU
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![BU of 5ucu by Molmil](/molmil-images/mine/5ucu) | STRUCTURAL AND MECHANISTIC INSIGHTS INTO HEMOGLOBIN-CATALYZED HYDROGEN SULFIDE OXIDATION AND THE FATE OF POLYSULFIDE PRODUCTS | Descriptor: | HYDROSULFURIC ACID, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Vitvitsky, V, Yadav, P.K, An, S, Seravalli, J, Cho, U.-S, Banerjee, R. | Deposit date: | 2016-12-22 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.797 Å) | Cite: | Structural and Mechanistic Insights into Hemoglobin-catalyzed Hydrogen Sulfide Oxidation and the Fate of Polysulfide Products. J. Biol. Chem., 292, 2017
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