6L1A
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![BU of 6l1a by Molmil](/molmil-images/mine/6l1a) | Crystal Structure of P450BM3 with N-enanthoyl-L-prolyl-L-phenylalanine | Descriptor: | (2S)-2-[[(2S)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | Authors: | Shoji, O, Yonemura, K. | Deposit date: | 2019-09-28 | Release date: | 2020-09-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Systematic Evolution of Decoy Molecules for the Highly Efficient Hydroxylation of Benzene and Small Alkanes Catalyzed by Wild-Type Cytochrome P450BM3 Acs Catalysis, 10, 2020
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6XWT
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![BU of 6xwt by Molmil](/molmil-images/mine/6xwt) | drosophila melanogaster CENP-A/H4 bound to N-terminal CAL1 fragment | Descriptor: | Chromosome alignment defect 1, Histone H3-like centromeric protein cid, Histone H4 | Authors: | Jeyaprakash, A.A, Medina-Pritchard, B, Lazou, V, Zou, J, Byron, O, Abad, M.A, Rappsilber, J, Heun, P. | Deposit date: | 2020-01-24 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.47 Å) | Cite: | Structural basis for centromere maintenance by Drosophila CENP-A chaperone CAL1. Embo J., 39, 2020
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7URI
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![BU of 7uri by Molmil](/molmil-images/mine/7uri) | allo-tRNAUTu1A in the A site of the E. coli ribosome | Descriptor: | Allo-tRNAUTu1A | Authors: | Zhang, J, Prabhakar, A, Krahn, N, Vargas-Rodriguez, O, Krupkin, M, Fu, Z, Acosta-Reyes, F.J, Ge, X, Choi, J, Crnkovic, A, Ehrenberg, M, Viani Puglisi, E, Soll, D, Puglisi, J. | Deposit date: | 2022-04-22 | Release date: | 2022-08-10 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Uncovering translation roadblocks during the development of a synthetic tRNA. Nucleic Acids Res., 50, 2022
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7UR5
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![BU of 7ur5 by Molmil](/molmil-images/mine/7ur5) | allo-tRNAUTu1 in the A, P, and E sites of the E. coli ribosome | Descriptor: | allo-tRNAUTu1 | Authors: | Zhang, J, Krahn, N, Prabhakar, A, Vargas-Rodriguez, O, Krupkin, M, Fu, Z, Acosta-Reyes, F.J, Ge, X, Choi, J, Crnkovic, A, Ehrenberg, M, Viani Puglisi, E, Soll, D, Puglisi, J. | Deposit date: | 2022-04-21 | Release date: | 2022-08-10 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Uncovering translation roadblocks during the development of a synthetic tRNA. Nucleic Acids Res., 50, 2022
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7URM
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![BU of 7urm by Molmil](/molmil-images/mine/7urm) | allo-tRNAUTu1A in the P site of the E. coli ribosome | Descriptor: | allo-tRNAUTU1A | Authors: | Zhang, J, Prabhakar, A, Krahn, N, Vargas-Rodriguez, O, Krupkin, M, Fu, Z, Acosta-Reyes, F.J, Ge, X, Choi, J, Crnkovic, A, Ehrenberg, M, Viani Puglisi, E, Soll, D, Puglisi, J. | Deposit date: | 2022-04-22 | Release date: | 2022-08-10 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Uncovering translation roadblocks during the development of a synthetic tRNA. Nucleic Acids Res., 50, 2022
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6XWW
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6XX1
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![BU of 6xx1 by Molmil](/molmil-images/mine/6xx1) | The unique CBM3-Clocl_1192 of Hungateiclostridium clariflavum | Descriptor: | Cellulose binding domain-containing protein | Authors: | Milana, M.V, Almog, R, Yaniv, O, Oded, L, Inna, R.G, Felix, F, Edward, A.B, Raphael, L. | Deposit date: | 2020-01-26 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | The unique CBM3-Cthe_0271 from Ruminoclostridium thermocellum and CBM3-Clocl_1192 from Hungateiclostridium clariflavum To Be Published
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1EEH
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![BU of 1eeh by Molmil](/molmil-images/mine/1eeh) | UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE | Descriptor: | UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE | Authors: | Bertrand, J.A, Fanchon, E, Martin, L, Chantalat, L, Auger, G, Blanot, D, van Heijenoort, J, Dideberg, O. | Deposit date: | 2000-01-31 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | "Open" structures of MurD: domain movements and structural similarities with folylpolyglutamate synthetase. J.Mol.Biol., 301, 2000
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7WY4
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![BU of 7wy4 by Molmil](/molmil-images/mine/7wy4) | Structure of the CYP102A1 F87A Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styrene | Descriptor: | (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ... | Authors: | Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O. | Deposit date: | 2022-02-15 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations. Angew.Chem.Int.Ed.Engl., 62, 2023
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6XTJ
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![BU of 6xtj by Molmil](/molmil-images/mine/6xtj) | The high resolution structure of the FERM domain of human FERMT2 | Descriptor: | CITRIC ACID, Fermitin family homolog 2,Fermitin family homolog 2,Fermitin family homolog 2 | Authors: | Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-01-16 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The high resolution structure of the FERM domain of human FERMT2 To Be Published
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7WY3
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![BU of 7wy3 by Molmil](/molmil-images/mine/7wy3) | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87V Mutant Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with Styrene | Descriptor: | (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ... | Authors: | Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O. | Deposit date: | 2022-02-15 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations. Angew.Chem.Int.Ed.Engl., 62, 2023
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7WY2
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![BU of 7wy2 by Molmil](/molmil-images/mine/7wy2) | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87A Mutant Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styrene | Descriptor: | (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ... | Authors: | Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O. | Deposit date: | 2022-02-15 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations. Angew.Chem.Int.Ed.Engl., 62, 2023
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7WY1
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![BU of 7wy1 by Molmil](/molmil-images/mine/7wy1) | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styerene | Descriptor: | (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, Oxomolybdenum Mesoporphyrin IX, ... | Authors: | Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O. | Deposit date: | 2022-02-15 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations. Angew.Chem.Int.Ed.Engl., 62, 2023
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2HPR
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![BU of 2hpr by Molmil](/molmil-images/mine/2hpr) | |
6XWU
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![BU of 6xwu by Molmil](/molmil-images/mine/6xwu) | Crystal structure of drosophila melanogaster CENP-C cumin domain | Descriptor: | RE68959p | Authors: | Jeyaprakash, A.A, Medina-Pritchard, B, Lazou, V, Zou, J, Byron, O, Abad, M.A, Rappsilber, J, Heun, P. | Deposit date: | 2020-01-24 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural basis for centromere maintenance by Drosophila CENP-A chaperone CAL1. Embo J., 39, 2020
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6XXA
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6XY7
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![BU of 6xy7 by Molmil](/molmil-images/mine/6xy7) | Human SHIP1 with magnesium and phosphate bound to the active site | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Bradshaw, W.J, Scacioc, A, Fernandez-Cid, A, Mckinley, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | Deposit date: | 2020-01-29 | Release date: | 2020-02-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.086 Å) | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2. Structure, 2024
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8DT4
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![BU of 8dt4 by Molmil](/molmil-images/mine/8dt4) | X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime MMB4 (POX-hAChE-MMB4) | Descriptor: | 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, Acetylcholinesterase, DIETHYL PHOSPHONATE, ... | Authors: | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | Deposit date: | 2022-07-25 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering. Structure, 30, 2022
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8DT2
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![BU of 8dt2 by Molmil](/molmil-images/mine/8dt2) | X-ray structure of human acetylcholinesterase inhibited by paraoxon (POX-hAChE) | Descriptor: | Acetylcholinesterase, DIETHYL PHOSPHONATE, DIMETHYL SULFOXIDE, ... | Authors: | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | Deposit date: | 2022-07-25 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.803 Å) | Cite: | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering. Structure, 30, 2022
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8DT7
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![BU of 8dt7 by Molmil](/molmil-images/mine/8dt7) | X-ray structure of human acetylcholinesterase in complex with oxime MMB4 (hAChE-MMB4) | Descriptor: | 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, Acetylcholinesterase, GLYCEROL, ... | Authors: | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | Deposit date: | 2022-07-25 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.207 Å) | Cite: | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering. Structure, 30, 2022
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8DT5
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![BU of 8dt5 by Molmil](/molmil-images/mine/8dt5) | X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime RS170B (POX-hAChE-RS170B) | Descriptor: | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, DIETHYL PHOSPHONATE, ... | Authors: | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | Deposit date: | 2022-07-25 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering. Structure, 30, 2022
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7XLP
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![BU of 7xlp by Molmil](/molmil-images/mine/7xlp) | MEK1 bound to DS03090629 | Descriptor: | (1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H. | Deposit date: | 2022-04-22 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma. Mol.Cancer Ther., 22, 2023
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7XNC
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![BU of 7xnc by Molmil](/molmil-images/mine/7xnc) | MEK1 bound to DS94070624 | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H. | Deposit date: | 2022-04-28 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma. Mol.Cancer Ther., 22, 2023
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1DXK
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6WIV
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![BU of 6wiv by Molmil](/molmil-images/mine/6wiv) | Structure of human GABA(B) receptor in an inactive state | Descriptor: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Park, J, Fu, Z, Frangaj, A, Liu, J, Mosyak, L, Shen, T, Slavkovich, V.N, Ray, K.M, Taura, J, Cao, B, Geng, Y, Zuo, H, Kou, Y, Grassucci, R, Chen, S, Liu, Z, Lin, X, Williams, J.P, Rice, W.J, Eng, E.T, Huang, R.K, Soni, R.K, Kloss, B, Yu, Z, Javitch, J.A, Hendrickson, W.A, Slesinger, P.A, Quick, M, Graziano, J, Yu, H, Fiehn, O, Clarke, O.B, Frank, J, Fan, Q.R. | Deposit date: | 2020-04-10 | Release date: | 2020-07-01 | Last modified: | 2020-08-26 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of human GABABreceptor in an inactive state. Nature, 584, 2020
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