7OZM
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![BU of 7ozm by Molmil](/molmil-images/mine/7ozm) | Crystal Structure of mtbMGL K74A (Closed Cap Conformation) | Descriptor: | ISOPROPYL ALCOHOL, Monoacylglycerol lipase | Authors: | Grininger, C, Aschauer, P, Pavkov-Keller, T, Oberer, M. | Deposit date: | 2021-06-28 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Changes in the Cap of Rv0183/mtbMGL Modulate the Shape of the Binding Pocket. Biomolecules, 11, 2021
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6DHH
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![BU of 6dhh by Molmil](/molmil-images/mine/6dhh) | RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.2 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | Deposit date: | 2018-05-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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7TU3
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![BU of 7tu3 by Molmil](/molmil-images/mine/7tu3) | Structure of the L. blandensis dGTPase del55-58 mutant | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, SULFATE ION, ... | Authors: | Sikkema, A.P, Klemm, B.P, Horng, J.C, Hall, T.M.T. | Deposit date: | 2022-02-02 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | High-resolution structures of the SAMHD1 dGTPase homolog from Leeuwenhoekiella blandensis reveal a novel mechanism of allosteric activation by dATP. J.Biol.Chem., 298, 2022
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7OZ1
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![BU of 7oz1 by Molmil](/molmil-images/mine/7oz1) | Cryo-EM structure of ABCG1 E242Q mutant with ATP and cholesteryl hemisuccinate bound | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Skarda, L, Kowal, J, Locher, K.P. | Deposit date: | 2021-06-25 | Release date: | 2021-09-22 | Last modified: | 2021-09-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure of the Human Cholesterol Transporter ABCG1. J.Mol.Biol., 433, 2021
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7TU4
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![BU of 7tu4 by Molmil](/molmil-images/mine/7tu4) | Structure of the L. blandensis dGTPase del55-58 mutant bound to Mn | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Sikkema, A.P, Klemm, B.P, Horng, J.C, Hall, T.M.T. | Deposit date: | 2022-02-02 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | High-resolution structures of the SAMHD1 dGTPase homolog from Leeuwenhoekiella blandensis reveal a novel mechanism of allosteric activation by dATP. J.Biol.Chem., 298, 2022
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5KJ2
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![BU of 5kj2 by Molmil](/molmil-images/mine/5kj2) | The novel p300/CBP inhibitor A-485 uncovers a unique mechanism of action to target AR in castrate resistant prostate cancer | Descriptor: | Histone acetyltransferase p300, N-[(4-fluorophenyl)methyl]-2-{(1R)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'H-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide, SODIUM ION | Authors: | Jakob, C.G, Qiu, W, Edalji, R.P, Sun, C. | Deposit date: | 2016-06-17 | Release date: | 2017-09-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of a selective catalytic p300/CBP inhibitor that targets lineage-specific tumours. Nature, 550, 2017
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1AW2
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![BU of 1aw2 by Molmil](/molmil-images/mine/1aw2) | TRIOSEPHOSPHATE ISOMERASE OF VIBRIO MARINUS | Descriptor: | SULFATE ION, TRIOSEPHOSPHATE ISOMERASE | Authors: | Maes, D, Zeelen, J.P, Wierenga, R.K. | Deposit date: | 1997-10-09 | Release date: | 1998-01-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Triose-phosphate isomerase (TIM) of the psychrophilic bacterium Vibrio marinus. Kinetic and structural properties. J.Biol.Chem., 273, 1998
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7P4I
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7QCX
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![BU of 7qcx by Molmil](/molmil-images/mine/7qcx) | Two-state liquid NMR Structure of a PDZ2 Domain from hPTP1E, apo form | Descriptor: | Tyrosine-protein phosphatase non-receptor type 13 | Authors: | Ashkinadze, D, Kadavath, H, Chi, C, Friedmann, M, Strotz, D, Kumari, P, Minges, M, Cadalbert, R, Koenigl, S, Guentert, P, Voegeli, B, Riek, R. | Deposit date: | 2021-11-25 | Release date: | 2022-09-07 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Atomic resolution protein allostery from the multi-state structure of a PDZ domain. Nat Commun, 13, 2022
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7QCY
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![BU of 7qcy by Molmil](/molmil-images/mine/7qcy) | Two-state liquid NMR Structure of a PDZ2 Domain from hPTP1E, complexed with RA-GEF2 peptide | Descriptor: | Tyrosine-protein phosphatase non-receptor type 13 | Authors: | Ashkinadze, D, Kadavath, H, Chi, C, Friedmann, M, Strotz, D, Kumari, P, Minges, M, Cadalbert, R, Koenigl, S, Guentert, P, Voegeli, B, Riek, R. | Deposit date: | 2021-11-25 | Release date: | 2022-09-07 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Atomic resolution protein allostery from the multi-state structure of a PDZ domain. Nat Commun, 13, 2022
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4RP2
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1BAV
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7OWY
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![BU of 7owy by Molmil](/molmil-images/mine/7owy) | Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 3 minutes showing a peroxide anion as bridging species of iron ions in the ferroxidase site | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S. | Deposit date: | 2021-06-21 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin. Chemistry, 27, 2021
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3CG9
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![BU of 3cg9 by Molmil](/molmil-images/mine/3cg9) | Crystal structure of the complex of peptidoglycan recognition protein with methyloxane-2,3,4,5-tetrol at 2.9 A resolution | Descriptor: | L(+)-TARTARIC ACID, Peptidoglycan recognition protein, alpha-L-rhamnopyranose | Authors: | Sharma, P, Kaur, A, Singh, N, Sharma, S, Bhushan, A, Pathak, K.M.L, Kaur, P, Singh, T.P. | Deposit date: | 2008-03-05 | Release date: | 2008-04-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of the complex of peptidoglycan recognition protein with methyoxane-2,3,4,5-tetrol at 2.9 A resolution To be Published
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7OWD
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7OWC
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7OML
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7OLH
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1B02
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![BU of 1b02 by Molmil](/molmil-images/mine/1b02) | CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, PROTEIN (THYMIDYLATE SYNTHASE) | Authors: | Fox, K.M, Maley, F, Garibian, A, Changchien, L, Vanroey, P. | Deposit date: | 1998-11-16 | Release date: | 1999-03-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of thymidylate synthase A from Bacillus subtilis. Protein Sci., 8, 1999
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1B0C
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![BU of 1b0c by Molmil](/molmil-images/mine/1b0c) | EVIDENCE OF A COMMON DECAMER IN THREE CRYSTAL STRUCTURES OF BPTI, CRYSTALLIZED FROM THIOCYANATE, CHLORIDE OR SULFATE | Descriptor: | PROTEIN (PANCREATIC TRYPSIN INHIBITOR) | Authors: | Hamiaux, C, Prange, T, Ries-Kautt, M, Ducruix, A, Lafont, S, Astier, J.P, Veesler, S. | Deposit date: | 1998-11-06 | Release date: | 1998-11-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The BPTI decamer observed in acidic pH crystal forms pre-exists as a stable species in solution. J.Mol.Biol., 297, 2000
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8APM
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![BU of 8apm by Molmil](/molmil-images/mine/8apm) | Vaccinia virus DNA helicase D5 residues 323-785 hexamer with bound DNA processed in C1 | Descriptor: | DNA (5'-D(P*CP*CP*GP*AP*AP*TP*CP*A)-3'), DNA (5'-D(P*TP*GP*AP*TP*TP*CP*GP*G)-3'), Primase D5 | Authors: | Burmeister, W.P, Hutin, S, Ling, W.L, Grimm, C, Schoehn, G. | Deposit date: | 2022-08-10 | Release date: | 2022-11-09 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | The Vaccinia Virus DNA Helicase Structure from Combined Single-Particle Cryo-Electron Microscopy and AlphaFold2 Prediction. Viruses, 14, 2022
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3CPW
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![BU of 3cpw by Molmil](/molmil-images/mine/3cpw) | The structure of the antibiotic LINEZOLID bound to the large ribosomal subunit of HALOARCULA MARISMORTUI | Descriptor: | 23S RIBOSOMAL RNA, 5'-R(*CP*CP*AP*(PHE)*(ACA))-3', 50S ribosomal protein L10E, ... | Authors: | Ippolito, J.A, Kanyo, Z.K, Wang, D, Franceschi, F.J, Moore, P.B, Steitz, T.A, Duffy, E.M. | Deposit date: | 2008-04-01 | Release date: | 2008-07-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of the Oxazolidinone Antibiotic
Linezolid Bound to the 50S Ribosomal Subunit J.Med.Chem., 51, 2008
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7QYD
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![BU of 7qyd by Molmil](/molmil-images/mine/7qyd) | mosquitocidal Cry11Ba determined at pH 6.5 from naturally-occurring nanocrystals by Serial femtosecond crystallography | Descriptor: | Pesticidal crystal protein Cry11Ba | Authors: | De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A. | Deposit date: | 2022-01-28 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals. Nat Commun, 13, 2022
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8DI4
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![BU of 8di4 by Molmil](/molmil-images/mine/8di4) | Discovery of MK-8189, a highly potent and selective PDE10A inhibitor for the treatment of schizophrenia | Descriptor: | 2-methyl-6-{[(1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl]methoxy}-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... | Authors: | Hayes, R.P, Yan, Y. | Deposit date: | 2022-06-28 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.016 Å) | Cite: | Discovery of MK-8189, a Highly Potent and Selective PDE10A Inhibitor for the Treatment of Schizophrenia. J.Med.Chem., 66, 2023
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4ROY
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![BU of 4roy by Molmil](/molmil-images/mine/4roy) | |