8IR2
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![BU of 8ir2 by Molmil](/molmil-images/mine/8ir2) | Crystal structure of the SLF1 BRCT domain in complex with a Rad18 peptide containing pS442 and pS444 | Descriptor: | CHLORIDE ION, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... | Authors: | Xiang, S, Huang, W, Qiu, F. | Deposit date: | 2023-03-17 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural insights into Rad18 targeting by the SLF1 BRCT domains. J.Biol.Chem., 299, 2023
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6XA2
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![BU of 6xa2 by Molmil](/molmil-images/mine/6xa2) | Structure of the tirandamycin C-bound P450 monooxygenase TamI | Descriptor: | (3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione, PROTOPORPHYRIN IX CONTAINING FE, TamI | Authors: | Newmister, S.A, Srivastava, K.R, Espinoza, R.V, Haatveit, K.C, Khatri, Y, Martini, R.M, Garcia-Borras, M, Podust, L.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2020-06-03 | Release date: | 2021-06-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Molecular Basis of Iterative C─H Oxidation by TamI, a Multifunctional P450 monooxygenase from the Tirandamycin Biosynthetic Pathway. Acs Catalysis, 10, 2020
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6XAL
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![BU of 6xal by Molmil](/molmil-images/mine/6xal) | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Val) | Descriptor: | (3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione, NzeB, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | Deposit date: | 2020-06-04 | Release date: | 2021-06-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.349 Å) | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase. J.Am.Chem.Soc., 142, 2020
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8OVC
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![BU of 8ovc by Molmil](/molmil-images/mine/8ovc) | Respiratory supercomplex (III2-IV2) from Mycobacterium smegmatis | Descriptor: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | Authors: | Kovalova, T, Krol, S, Sjostrand, D, Riepl, D, Gamiz-Hernandez, A, Brzezinski, P, Kaila, V, Hogbom, M. | Deposit date: | 2023-04-25 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Long-range charge transfer mechanism of the III 2 IV 2 mycobacterial supercomplex. Nat Commun, 15, 2024
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6XAI
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![BU of 6xai by Molmil](/molmil-images/mine/6xai) | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Pro) | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, NzeB, ... | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | Deposit date: | 2020-06-04 | Release date: | 2021-06-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.489 Å) | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase. J.Am.Chem.Soc., 142, 2020
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8IMH
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8OVD
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![BU of 8ovd by Molmil](/molmil-images/mine/8ovd) | Respiratory supercomplex (III2-IV2) from Mycobacterium smegmatis | Descriptor: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | Authors: | Kovalova, T, Krol, S, Sjostrand, D, Riepl, D, Gamiz-Hernandez, A, Brzezinski, P, Kaila, V, Hogbom, M. | Deposit date: | 2023-04-25 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Long-range charge transfer mechanism of the III 2 IV 2 mycobacterial supercomplex. Nat Commun, 15, 2024
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5XAF
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![BU of 5xaf by Molmil](/molmil-images/mine/5xaf) | Crystal structure of tubulin-stathmin-TTL-Compound Z1 complex | Descriptor: | (3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Zhang, H, Luo, C, Wang, Y. | Deposit date: | 2017-03-12 | Release date: | 2017-12-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.551 Å) | Cite: | Design, synthesis, biological evaluation and cocrystal structures with tubulin of chiral beta-lactam bridged combretastatin A-4 analogues as potent antitumor agents Eur J Med Chem, 144, 2017
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7JY2
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![BU of 7jy2 by Molmil](/molmil-images/mine/7jy2) | Z-DNA joint X-ray/Neutron | Descriptor: | Chains: A,B | Authors: | Harp, J.M, Coates, L, Egli, M. | Deposit date: | 2020-08-28 | Release date: | 2021-04-28 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION | Cite: | Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography. Nucleic Acids Res., 49, 2021
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6XAK
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![BU of 6xak by Molmil](/molmil-images/mine/6xak) | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Pro) and cyclo-(L-Trp-L-Trp) | Descriptor: | (3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione, (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, ... | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | Deposit date: | 2020-06-04 | Release date: | 2021-06-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.479 Å) | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase. J.Am.Chem.Soc., 142, 2020
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7DEV
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![BU of 7dev by Molmil](/molmil-images/mine/7dev) | Crystal Structures of Anthocyanin 5,3'-aromatic acyltransferase from Gentiana triflora | Descriptor: | Anthocyanin 5-aromatic acyltransferase | Authors: | Murayama, K, Kato-Murayama, M, Shirouzu, M. | Deposit date: | 2020-11-05 | Release date: | 2021-09-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Anthocyanin 5,3'-aromatic acyltransferase from Gentiana triflora, a structural insight into biosynthesis of a blue anthocyanin. Phytochemistry, 186, 2021
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7DEX
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![BU of 7dex by Molmil](/molmil-images/mine/7dex) | Crystal Structures of Anthocyanin 5,3'-aromatic acyltransferase H174A mutant with caffeoyl-CoA | Descriptor: | Anthocyanin 5-aromatic acyltransferase, S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enethioate | Authors: | Murayama, K, Kato-Murayama, M, Shirouzu, M. | Deposit date: | 2020-11-05 | Release date: | 2021-09-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Anthocyanin 5,3'-aromatic acyltransferase from Gentiana triflora, a structural insight into biosynthesis of a blue anthocyanin. Phytochemistry, 186, 2021
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5MSS
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4M28
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![BU of 4m28 by Molmil](/molmil-images/mine/4m28) | UDP-Glucose Pyrophosphorylase from Leishmania major in complex with UTP analog dUpCpp | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine, UDP-glucose pyrophosphorylase | Authors: | Fuehring, J.I, Routier, F.H, Lamerz, A.-C, Baruch, P, Gerardy-Schahn, R, Fedorov, R. | Deposit date: | 2013-08-05 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Catalytic mechanism and allosteric regulation of UDP-glucose pyrophosphorylase from Leishmania major ACS CATALYSIS, 3, 2013
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6XAJ
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![BU of 6xaj by Molmil](/molmil-images/mine/6xaj) | Crystal structure of NzeB | Descriptor: | 1,2-ETHANEDIOL, NzeB, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | Deposit date: | 2020-06-04 | Release date: | 2021-06-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase. J.Am.Chem.Soc., 142, 2020
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6XAM
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![BU of 6xam by Molmil](/molmil-images/mine/6xam) | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-homoalanine) | Descriptor: | (3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione, 1,2-ETHANEDIOL, NzeB, ... | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | Deposit date: | 2020-06-04 | Release date: | 2021-06-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.481 Å) | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase. J.Am.Chem.Soc., 142, 2020
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4XR7
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![BU of 4xr7 by Molmil](/molmil-images/mine/4xr7) | Structure of the Saccharomyces cerevisiae PAN2-PAN3 core complex | Descriptor: | PAB-dependent poly(A)-specific ribonuclease subunit PAN2, PAB-dependent poly(A)-specific ribonuclease subunit PAN3 | Authors: | Schafer, I.B, Rode, M, Bonneau, F, Schussler, S, Conti, E. | Deposit date: | 2015-01-20 | Release date: | 2015-01-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.796 Å) | Cite: | The structure of the Pan2-Pan3 core complex reveals cross-talk between deadenylase and pseudokinase. Nat. Struct. Mol. Biol., 21, 2014
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6XA3
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![BU of 6xa3 by Molmil](/molmil-images/mine/6xa3) | Structure of the ligand free P450 monooxygenase TamI | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, TamI | Authors: | Newmister, S.A, Srivastava, K.R, Espinoza, R.V, Haatveit, K.C, Khatri, Y, Martini, R.M, Garcia-Borras, M, Podust, L.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2020-06-03 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Molecular Basis of Iterative C─H Oxidation by TamI, a Multifunctional P450 monooxygenase from the Tirandamycin Biosynthetic Pathway. Acs Catalysis, 10, 2020
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7DPT
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![BU of 7dpt by Molmil](/molmil-images/mine/7dpt) | Structural basis for ligand binding modes of CTP synthase | Descriptor: | 6-DIAZENYL-5-OXO-L-NORLEUCINE, ADENOSINE-5'-DIPHOSPHATE, CTP synthase, ... | Authors: | Liu, J.L, Zhou, X, Guo, C.J, Chang, C.C. | Deposit date: | 2020-12-21 | Release date: | 2021-09-15 | Method: | ELECTRON MICROSCOPY (2.48 Å) | Cite: | Structural basis for ligand binding modes of CTP synthase. Proc.Natl.Acad.Sci.USA, 118, 2021
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5C9Y
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7DPW
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![BU of 7dpw by Molmil](/molmil-images/mine/7dpw) | Structural basis for ligand binding modes of CTP synthase | Descriptor: | CTP synthase, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Liu, J.L, Zhou, X, Guo, C.J, Chang, C.C. | Deposit date: | 2020-12-21 | Release date: | 2021-09-15 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | Structural basis for ligand binding modes of CTP synthase. Proc.Natl.Acad.Sci.USA, 118, 2021
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5XCN
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5MCE
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![BU of 5mce by Molmil](/molmil-images/mine/5mce) | Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 5.43 MGy | Descriptor: | Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION | Authors: | Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F. | Deposit date: | 2016-11-09 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | OH cleavage from tyrosine: debunking a myth. J Synchrotron Radiat, 24, 2017
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7JRR
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![BU of 7jrr by Molmil](/molmil-images/mine/7jrr) | Crystal structures of artificially designed homomeric RNA nanoarchitectures | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, RNA (50-MER) | Authors: | Liu, D, Shao, Y, Piccirilli, J.A, Weizmann, Y. | Deposit date: | 2020-08-12 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structures of artificially designed discrete RNA nanoarchitectures at near-atomic resolution. Sci Adv, 7, 2021
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7JRT
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