1NFV
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![BU of 1nfv by Molmil](/molmil-images/mine/1nfv) | X-ray structure of Desulfovibrio desulfuricans bacterioferritin: the diiron centre in different catalytic states (as-isolated structure) | Descriptor: | 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, 3-HYDROXYPYRUVIC ACID, FE (III) ION, ... | Authors: | Macedo, S, Romao, C.V, Mitchell, E, Matias, P.M, Liu, M.Y, Xavier, A.V, LeGall, J, Teixeira, M, Lindley, P, Carrondo, M.A. | Deposit date: | 2002-12-16 | Release date: | 2003-04-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The nature of the di-iron site in the bacterioferritin from
Desulfovibrio desulfuricans NAT.STRUCT.BIOL., 10, 2003
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6PR2
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![BU of 6pr2 by Molmil](/molmil-images/mine/6pr2) | R261A/S128A S. typhimurium siroheme synthase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Pennington, J.M, Stroupe, M.E. | Deposit date: | 2019-07-10 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site. Nat Commun, 11, 2020
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1K08
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![BU of 1k08 by Molmil](/molmil-images/mine/1k08) | Crystallographic Binding Study of 10 mM N-benzoyl-N'-beta-D-glucopyranosyl urea to glycogen phosphorylase b | Descriptor: | Glycogen Phosphorylase, N-[(phenylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine, PYRIDOXAL-5'-PHOSPHATE | Authors: | Oikonomakos, N.G, Kosmopoulou, M, Zographos, S.E, Leonidas, D.D, Chrysina, E.D, Somsak, L, Nagy, V, Praly, J.P, Docsa, T, Toth, B, Gergely, P. | Deposit date: | 2001-09-18 | Release date: | 2001-10-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Binding of N-acetyl-N '-beta-D-glucopyranosyl urea and N-benzoyl-N '-beta-D-glucopyranosyl urea to glycogen phosphorylase b: kinetic and crystallographic studies. Eur.J.Biochem., 269, 2002
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2JAA
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![BU of 2jaa by Molmil](/molmil-images/mine/2jaa) | SeMet substituted Shigella Flexneri Ipad | Descriptor: | INVASIN IPAD | Authors: | Johnson, S, Roversi, P, Espina, M, Olive, A, Deane, J.E, Birket, S, Field, T, Picking, W.D, Blocker, A.J, Galyov, E.E, Picking, W.L, Lea, S.M. | Deposit date: | 2006-11-24 | Release date: | 2006-11-30 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Self-Chaperoning of the Type III Secretion System Needle Tip Proteins Ipad and Bipd. J.Biol.Chem., 282, 2007
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7AVM
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![BU of 7avm by Molmil](/molmil-images/mine/7avm) | Crystal Structure of Pro-Rhodesain C150A | Descriptor: | Cysteine protease, GLYCEROL | Authors: | Johe, P, Jaenicke, E, Neuweiler, H, Schirmeister, T, Kersten, C, Hellmich, U. | Deposit date: | 2020-11-05 | Release date: | 2020-11-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure, interdomain dynamics, and pH-dependent autoactivation of pro-rhodesain, the main lysosomal cysteine protease from African trypanosomes. J.Biol.Chem., 296, 2021
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6PF2
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![BU of 6pf2 by Molmil](/molmil-images/mine/6pf2) | Crystal Structure of Amino Acids 1220-1276 of Human Beta Cardiac Myosin Fused to Gp7 and Eb1 | Descriptor: | 1,2-ETHANEDIOL, Myosin, heavy polypeptide 7, ... | Authors: | Andreas, M.P, Korkmaz, E.N, Kirsch, C.J, Hargreaves, M, Kieffer, D.J, Ajay, G, Cui, Q, Rayment, I. | Deposit date: | 2019-06-21 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | A Complete Model of the Cardiac Myosin Rod To Be Published
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1OIY
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![BU of 1oiy by Molmil](/molmil-images/mine/1oiy) | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | Descriptor: | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2003-06-26 | Release date: | 2004-07-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
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4Q06
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![BU of 4q06 by Molmil](/molmil-images/mine/4q06) | Crystal structure of chimeric carbonic anhydrase IX with inhibitor | Descriptor: | 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2014-04-01 | Release date: | 2015-01-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
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7B5O
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![BU of 7b5o by Molmil](/molmil-images/mine/7b5o) | Cryo-EM structure of the human CAK bound to ICEC0942 at 2.5 Angstroms resolution | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | Authors: | Greber, B.J, Remis, J, Ali, S, Nogales, E. | Deposit date: | 2020-12-05 | Release date: | 2021-02-10 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | 2.5 angstrom -resolution structure of human CDK-activating kinase bound to the clinical inhibitor ICEC0942. Biophys.J., 120, 2021
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6V7B
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![BU of 6v7b by Molmil](/molmil-images/mine/6v7b) | Cryo-EM reconstruction of Pyrobaculum filamentous virus 2 (PFV2) | Descriptor: | A-DNA, Structural protein VP1, Structural protein VP2 | Authors: | Wang, F, Baquero, D.P, Su, Z, Prangishvili, D, Krupovic, M, Egelman, E.H. | Deposit date: | 2019-12-08 | Release date: | 2020-04-01 | Last modified: | 2020-05-20 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of a filamentous virus uncovers familial ties within the archaeal virosphere. Virus Evol, 6, 2020
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3KAZ
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![BU of 3kaz by Molmil](/molmil-images/mine/3kaz) | Crystal structure of abscisic acid receptor PYL2 | Descriptor: | 1,3-BUTANEDIOL, Putative uncharacterized protein At2g26040 | Authors: | Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Xu, H.E. | Deposit date: | 2009-10-19 | Release date: | 2009-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Agate-latch-lock mechanism for hormone signalling by abscisic acid receptors Nature, 462, 2009
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1OI9
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![BU of 1oi9 by Molmil](/molmil-images/mine/1oi9) | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | Descriptor: | 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2003-06-10 | Release date: | 2004-07-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
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7B5Q
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![BU of 7b5q by Molmil](/molmil-images/mine/7b5q) | Cryo-EM structure of the human CAK bound to ICEC0942 (PHENIX-OPLS3e) | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | Authors: | Greber, B.J, Remis, J, Ali, S, Nogales, E. | Deposit date: | 2020-12-05 | Release date: | 2021-02-10 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | 2.5 angstrom -resolution structure of human CDK-activating kinase bound to the clinical inhibitor ICEC0942. Biophys.J., 120, 2021
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5FIF
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![BU of 5fif by Molmil](/molmil-images/mine/5fif) | Carboxyltransferase domain of a single-chain bacterial carboxylase | Descriptor: | 1,2-ETHANEDIOL, Carboxylase | Authors: | Hagmann, A, Hunkeler, M, Stuttfeld, E, Maier, T. | Deposit date: | 2015-12-23 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.494 Å) | Cite: | Hybrid Structure of a Dynamic Single-Chain Carboxylase from Deinococcus radiodurans. Structure, 24, 2016
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8UCX
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![BU of 8ucx by Molmil](/molmil-images/mine/8ucx) | |
6PFP
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![BU of 6pfp by Molmil](/molmil-images/mine/6pfp) | Crystal Structure of Amino Acids 1473-1536 of Human Beta Cardiac Myosin Fused to Gp7 and Eb1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Myosin-7 fused to GP7 and EB1, SULFATE ION | Authors: | Andreas, M.P, Korkmaz, E.N, Kirsch, C.J, Hargreaves, M.D, Kieffer, D.J, Ajay, G, Cui, Q, Rayment, I. | Deposit date: | 2019-06-21 | Release date: | 2020-06-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Complete Model of the Cardiac Myosin Rod To Be Published
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6VH7
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![BU of 6vh7 by Molmil](/molmil-images/mine/6vh7) | Doublet Tau Fibril from Corticobasal Degeneration Human Brain Tissue | Descriptor: | Microtubule-associated protein tau | Authors: | Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P. | Deposit date: | 2020-01-09 | Release date: | 2020-03-04 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains. Cell, 180, 2020
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8C4L
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![BU of 8c4l by Molmil](/molmil-images/mine/8c4l) | |
6V09
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![BU of 6v09 by Molmil](/molmil-images/mine/6v09) | Crystal structure of human recombinant Beta-2 glycoprotein I short tag (ST-B2GPI) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-glycoprotein 1, SULFATE ION, ... | Authors: | Chen, Z, Ruben, E.A, Planer, W, Chinnaraj, M, Zuo, X, Pengo, V, Macor, P, Tedesco, F, Pozzi, N. | Deposit date: | 2019-11-18 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | The J-elongated conformation of beta2-glycoprotein I predominates in solution: implications for our understanding of antiphospholipid syndrome. J.Biol.Chem., 295, 2020
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1OIU
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![BU of 1oiu by Molmil](/molmil-images/mine/1oiu) | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | Descriptor: | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2003-06-26 | Release date: | 2004-07-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
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4Y77
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![BU of 4y77 by Molmil](/molmil-images/mine/4y77) | Yeast 20S proteasome in complex with Ac-LAF-ep | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-LAF-ep, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-02-13 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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6P5X
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![BU of 6p5x by Molmil](/molmil-images/mine/6p5x) | Sirohydrochlorin-bound S. typhimurium siroheme synthase | Descriptor: | 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Pennington, J.M, Stroupe, M.E. | Deposit date: | 2019-05-31 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site. Nat Commun, 11, 2020
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6P6X
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![BU of 6p6x by Molmil](/molmil-images/mine/6p6x) | Crystal structure of voltage-gated sodium channel NavAb G94C/Q150C mutant in the activated state | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ion transport protein | Authors: | Wisedchaisri, G, Tonggu, L, McCord, E, Gamal El-Din, T.M, Wang, L, Zheng, N, Catterall, W.A. | Deposit date: | 2019-06-04 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Resting-State Structure and Gating Mechanism of a Voltage-Gated Sodium Channel. Cell, 178, 2019
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6URF
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![BU of 6urf by Molmil](/molmil-images/mine/6urf) | Malic enzyme from Mycobacterium tuberculosis | Descriptor: | GLYCEROL, NAD-dependent malic enzyme | Authors: | Cuthbert, B.J, Burley, K.H, Goulding, C.W, Mathews, E.I, Beste, D.J. | Deposit date: | 2019-10-23 | Release date: | 2020-10-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural and Molecular Dynamics of Mycobacterium tuberculosis Malic Enzyme, a Potential Anti-TB Drug Target. Acs Infect Dis., 7, 2021
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1U3H
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![BU of 1u3h by Molmil](/molmil-images/mine/1u3h) | Crystal structure of mouse TCR 172.10 complexed with MHC class II I-Au molecule at 2.4 A | Descriptor: | H-2 class II histocompatibility antigen, A-U alpha chain, A-U beta chain, ... | Authors: | Maynard, J, Petersson, K, Wilson, D.H, Adams, E.J, Blondelle, S.E, Boulanger, M.J, Wilson, D.B, Garcia, K.C. | Deposit date: | 2004-07-21 | Release date: | 2005-05-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structure of an autoimmune T cell receptor complexed with class II peptide-MHC: insights into MHC bias and antigen specificity Immunity, 22, 2005
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