9C0Y
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![BU of 9c0y by Molmil](/molmil-images/mine/9c0y) | Clathrin terminal domain complexed with Pitstop 2c | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Clathrin heavy chain 1, ... | Authors: | Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V. | Deposit date: | 2024-05-28 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function To Be Published
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8WZG
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![BU of 8wzg by Molmil](/molmil-images/mine/8wzg) | SFX structure of an Mn-carbonyl complex immobilized in hen egg white lysozyme microcrystals, 10 ns after photoexcitation at RT. | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Maity, B, Shoji, M, Luo, F, Nakane, T, Abe, S, Owada, S, Kang, J, Tono, K, Tanaka, R, Thuc, T.T, Kojima, M, Hishikawa, Y, Tanaka, J, Tian, J, Noya, H, Nakasuji, Y, Asanuma, A, Yao, X, Iwata, S, Shigeta, Y, Nango, E, Ueno, T. | Deposit date: | 2023-11-01 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Real-time observation of a metal complex-driven reaction intermediate using a porous protein crystal and serial femtosecond crystallography. Nat Commun, 15, 2024
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8WZV
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![BU of 8wzv by Molmil](/molmil-images/mine/8wzv) | SFX structure of an Mn-carbonyl complex immobilized in hen egg white lysozyme microcrystals, 1 microsecond after photoexcitation with 40 microJoules laser intensity at RT. | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Maity, B, Shoji, M, Luo, F, Nakane, T, Abe, S, Owada, S, Kang, J, Tono, K, Tanaka, R, Thuc, T.T, Kojima, M, Hishikawa, Y, Tanaka, J, Tian, J, Noya, H, Nakasuji, Y, Asanuma, A, Yao, X, Iwata, S, Shigeta, Y, Nango, E, Ueno, T. | Deposit date: | 2023-11-02 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Real-time observation of a metal complex-driven reaction intermediate using a porous protein crystal and serial femtosecond crystallography. Nat Commun, 15, 2024
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9BFY
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![BU of 9bfy by Molmil](/molmil-images/mine/9bfy) | Tri-complex of Compound-12, KRAS G12C, and CypA | Descriptor: | (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ... | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | Deposit date: | 2024-04-18 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Tri-complex of Compound-12, KRAS G12C, and CypA To be published
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9BG1
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![BU of 9bg1 by Molmil](/molmil-images/mine/9bg1) | Tri-complex of Compound-3, KRAS G12V, and CypA | Descriptor: | (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ... | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | Deposit date: | 2024-04-18 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Tri-complex of Compound-3, KRAS G12V, and CypA To be published
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7YJJ
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![BU of 7yjj by Molmil](/molmil-images/mine/7yjj) | Human Cytosolic 10-formyltetrahydrofolate dehydrogenase and Gossypol complex | Descriptor: | Cytosolic 10-formyltetrahydrofolate dehydrogenase, Gossypol | Authors: | Han, C.W, Lee, H.N, Jeong, M.S, Jang, S.B. | Deposit date: | 2022-07-20 | Release date: | 2023-07-26 | Last modified: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (6.31 Å) | Cite: | Structural identification and comprehension of human ALDH1L1-Gossypol complex. Biochem.Biophys.Res.Commun., 726, 2024
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9C0Z
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![BU of 9c0z by Molmil](/molmil-images/mine/9c0z) | Clathrin terminal domain complexed with pitstop 2d | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V. | Deposit date: | 2024-05-28 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function To Be Published
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8WZF
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![BU of 8wzf by Molmil](/molmil-images/mine/8wzf) | Dark state SFX structure of hen egg white lysozyme microcrystals immobilized with a Mn carbonyl complex at RT. | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Maity, B, Shoji, M, Luo, F, Nakane, T, Abe, S, Owada, S, Kang, J, Tono, K, Tanaka, R, Thuc, T.T, Kojima, M, Hishikawa, Y, Tanaka, J, Tian, J, Noya, H, Nakasuji, Y, Asanuma, A, Yao, X, Iwata, S, Shigeta, Y, Nango, E, Ueno, T. | Deposit date: | 2023-11-01 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Real-time observation of a metal complex-driven reaction intermediate using a porous protein crystal and serial femtosecond crystallography. Nat Commun, 15, 2024
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6K0S
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![BU of 6k0s by Molmil](/molmil-images/mine/6k0s) | Catalytic domain of GH87 alpha-1,3-glucanase D1069A in complex with nigerose | Descriptor: | ACETIC ACID, Alpha-1,3-glucanase, CALCIUM ION, ... | Authors: | Itoh, T, Intuy, R, Suyotha, W, Hayashi, J, Yano, S, Makabe, K, Wakayama, M, Hibi, T. | Deposit date: | 2019-05-07 | Release date: | 2019-12-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.534 Å) | Cite: | Structural insights into substrate recognition and catalysis by glycoside hydrolase family 87 alpha-1,3-glucanase from Paenibacillus glycanilyticus FH11. Febs J., 287, 2020
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6JYB
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![BU of 6jyb by Molmil](/molmil-images/mine/6jyb) | Structure of light-state marine bacterial chloride importer, NM-R3, with CW laser (ND-10%) at 95K. | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Yun, J.H, Ohki, M, Park, S.Y, Lee, W. | Deposit date: | 2019-04-26 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Pumping mechanism of NM-R3, a light-driven bacterial chloride importer in the rhodopsin family. Sci Adv, 6, 2020
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9FOY
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![BU of 9foy by Molmil](/molmil-images/mine/9foy) | Ternary complex of a Mycobacterium tuberculosis DNA gyrase core fusion with DNA and the inhibitor AMK32b | Descriptor: | (1~{R})-2-[4-[[4-bromanyl-3,5-bis(fluoranyl)phenyl]methylamino]cyclohexyl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol, (1~{S})-2-[4-[[4-bromanyl-3,5-bis(fluoranyl)phenyl]methylamino]cyclohexyl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G)-3'), ... | Authors: | Kokot, M, Hrast, M, Feng, L, Mitchenall, L.A, Lawson, D.M, Maxwell, A, Minovski, N, Anderluh, M. | Deposit date: | 2024-06-12 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Unraveling the Mycobacterium tuberculosis DNA gyrase-DNA-NBTI complex To be published
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9EM1
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![BU of 9em1 by Molmil](/molmil-images/mine/9em1) | Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone and phosphate | Descriptor: | 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, Chronophin, GLYCEROL, ... | Authors: | Brenner, M, Gohla, A, Schindelin, H. | Deposit date: | 2024-03-07 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase. Elife, 13, 2024
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9AX6
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![BU of 9ax6 by Molmil](/molmil-images/mine/9ax6) | Tricomplex of RMC-6236, KRAS G12D, and CypA | Descriptor: | (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide, GTPase KRas, MAGNESIUM ION, ... | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | Deposit date: | 2024-03-05 | Release date: | 2024-04-17 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers. Cancer Discov, 14, 2024
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6JZB
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![BU of 6jzb by Molmil](/molmil-images/mine/6jzb) | |
6K2R
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![BU of 6k2r by Molmil](/molmil-images/mine/6k2r) | |
6K31
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![BU of 6k31 by Molmil](/molmil-images/mine/6k31) | |
6K2X
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![BU of 6k2x by Molmil](/molmil-images/mine/6k2x) | |
6K38
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6KAP
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![BU of 6kap by Molmil](/molmil-images/mine/6kap) | Carbonmonoxy human hemoglobin C in the R quaternary structure at 95 K: Light | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-06-23 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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6KAT
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![BU of 6kat by Molmil](/molmil-images/mine/6kat) | Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 95 K: Light | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-06-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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6KNG
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![BU of 6kng by Molmil](/molmil-images/mine/6kng) | CryoEM map and model of Nitrite Reductase at pH 8.1 | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase | Authors: | Adachi, N, Yamaguchi, T, Moriya, T, Kawasaki, M, Koiwai, K, Shinoda, A, Yamada, Y, Yumoto, F, Kohzuma, T, Senda, T. | Deposit date: | 2019-08-05 | Release date: | 2020-08-12 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | 2.85 and 2.99 angstrom resolution structures of 110 kDa nitrite reductase determined by 200 kV cryogenic electron microscopy. J.Struct.Biol., 213, 2021
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6K6T
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![BU of 6k6t by Molmil](/molmil-images/mine/6k6t) | Crystal structure of a standalone versatile EAL protein from Vibrio cholerae O395 - c-di-IMP bound form | Descriptor: | 9-[(1R,6R,8R,9S,10R,15S,17R,18S)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-17-(6-oxidanylidene-3H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-3H-purin-6-one, CALCIUM ION, EAL domain protein | Authors: | Yadav, M, Pal, K, Sen, U. | Deposit date: | 2019-06-04 | Release date: | 2020-06-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a standalone versatile EAL protein from Vibrio cholerae O395 - c-di-IMP bound form To Be Published
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6K7L
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![BU of 6k7l by Molmil](/molmil-images/mine/6k7l) | Cryo-EM structure of the human P4-type flippase ATP8A1-CDC50 (E2P state class2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BERYLLIUM TRIFLUORIDE ION, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Hiraizumi, M, Yamashita, K, Nishizawa, T, Nureki, O. | Deposit date: | 2019-06-07 | Release date: | 2019-08-28 | Last modified: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Cryo-EM structures capture the transport cycle of the P4-ATPase flippase. Science, 365, 2019
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6KAI
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![BU of 6kai by Molmil](/molmil-images/mine/6kai) | Crosslinked alpha(Ni)-beta(Fe) human hemoglobin A in the T quaternary structure at 95 K: Light | Descriptor: | BUT-2-ENEDIAL, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-06-23 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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6KAS
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![BU of 6kas by Molmil](/molmil-images/mine/6kas) | Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 95 K: Dark | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-06-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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