6NPZ
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![BU of 6npz by Molmil](/molmil-images/mine/6npz) | Crystal structure of Akt1 (aa 123-480) kinase with a bisubstrate | Descriptor: | GLYCEROL, MANGANESE (II) ION, RAC-alpha serine/threonine-protein kinase, ... | Authors: | Chu, N, Cole, P.A, Gabelli, S.B. | Deposit date: | 2019-01-18 | Release date: | 2019-01-30 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis. Cell, 174, 2018
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6BUU
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![BU of 6buu by Molmil](/molmil-images/mine/6buu) | Crystal structure of AKT1 (aa 144-480) with a bisubstrate | Descriptor: | GLY-ARG-PRO-ARG-THR-THR-ZXW-PHE-ALA-GLU, MANGANESE (II) ION, RAC-alpha serine/threonine-protein kinase, ... | Authors: | Chu, N, Gabelli, S.B, Cole, P.A. | Deposit date: | 2017-12-11 | Release date: | 2018-08-22 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis. Cell, 174, 2018
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2WL8
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![BU of 2wl8 by Molmil](/molmil-images/mine/2wl8) | X-ray crystal structure of Pex19p | Descriptor: | PEROXISOMAL BIOGENESIS FACTOR 19 | Authors: | Schueller, N, Holton, S.J, Stanley, W.A, Song, Y.H, Konarev, P, Roessle, M, Erdmann, R, Schliebs, W, Wilmanns, M. | Deposit date: | 2009-06-22 | Release date: | 2010-06-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The Peroxisomal Receptor Pex19P Forms a Helical Mpts Recognition Domain. Embo J., 29, 2010
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1DIC
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![BU of 1dic by Molmil](/molmil-images/mine/1dic) | STRUCTURE OF 3,4-DICHLOROISOCOUMARIN-INHIBITED FACTOR D | Descriptor: | 3,4-DICHLOROISOCOUMARIN, FACTOR D, OXYGEN ATOM | Authors: | Cole, L.B, Kilpatrick, J.M, Chu, N, Babu, Y.S. | Deposit date: | 1998-07-08 | Release date: | 1999-07-22 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of 3,4-dichloroisocoumarin-inhibited factor D. Acta Crystallogr.,Sect.D, 54, 1998
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1DFP
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![BU of 1dfp by Molmil](/molmil-images/mine/1dfp) | FACTOR D INHIBITED BY DIISOPROPYL FLUOROPHOSPHATE | Descriptor: | DIISOPROPYL PHOSPHONATE, FACTOR D | Authors: | Cole, L.B, Chu, N, Kilpatrick, J.M, Volanakis, J.E, Narayana, S.V.L, Babu, Y.S. | Deposit date: | 1997-02-18 | Release date: | 1998-02-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of diisopropyl fluorophosphate-inhibited factor D. Acta Crystallogr.,Sect.D, 53, 1997
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2W84
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![BU of 2w84 by Molmil](/molmil-images/mine/2w84) | Structure of Pex14 in complex with Pex5 | Descriptor: | PEROXISOMAL MEMBRANE PROTEIN PEX14, PEROXISOMAL TARGETING SIGNAL 1 RECEPTOR | Authors: | Neufeld, C, Filipp, F.V, Simon, B, Neuhaus, A, Schueller, N, David, C, Kooshapur, H, Madl, T, Erdmann, R, Schliebs, W, Wilmanns, M, Sattler, M. | Deposit date: | 2009-01-09 | Release date: | 2009-02-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis for competitive interactions of Pex14 with the import receptors Pex5 and Pex19. EMBO J., 28, 2009
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2W85
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![BU of 2w85 by Molmil](/molmil-images/mine/2w85) | Structure of Pex14 in complex with Pex19 | Descriptor: | PEROXIN-19, PEROXISOMAL MEMBRANE ANCHOR PROTEIN PEX14 | Authors: | Neufeld, C, Filipp, F.V, Simon, B, Neuhaus, A, Schueller, N, David, C, Kooshapur, H, Madl, T, Erdmann, R, Schliebs, W, Wilmanns, M, Sattler, M. | Deposit date: | 2009-01-09 | Release date: | 2009-02-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis for Competitive Interactions of Pex14 with the Import Receptors Pex5 and Pex19. Embo J., 28, 2009
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8Q4H
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![BU of 8q4h by Molmil](/molmil-images/mine/8q4h) | a membrane-bound menaquinol:organohalide oxidoreductase complex RDH complex | Descriptor: | (~{Z})-1,2-bis(chloranyl)ethene, CO-METHYLCOBALAMIN, IRON/SULFUR CLUSTER, ... | Authors: | Dongchun, N, Ekundayo, B, Henning, S, Julien, M, Holliger, C, Cimmino, L. | Deposit date: | 2023-08-07 | Release date: | 2023-10-18 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Structure of a membrane-bound menaquinol:organohalide oxidoreductase. Nat Commun, 14, 2023
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6NCH
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![BU of 6nch by Molmil](/molmil-images/mine/6nch) | Crystal structure of CDP-Chase: Raster data collection | Descriptor: | D-ribose, PHOSPHATE ION, Phosphohydrolase (MutT/nudix family protein), ... | Authors: | Miller, M.S, Shi, W, Gabelli, S.B. | Deposit date: | 2018-12-11 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II. Molecules, 24, 2019
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7MYX
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![BU of 7myx by Molmil](/molmil-images/mine/7myx) | |
6NCT
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![BU of 6nct by Molmil](/molmil-images/mine/6nct) | Structure of p110alpha/niSH2 - vector data collection | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION, ... | Authors: | Miller, M.S, Maheshwari, S, Amzel, L.M, Gabelli, S.B. | Deposit date: | 2018-12-12 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II. Molecules, 24, 2019
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6NCK
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![BU of 6nck by Molmil](/molmil-images/mine/6nck) | Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) | Descriptor: | COPPER (II) ION, NICKEL (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | Authors: | Miller, M.S, Maheshwari, S, Gabelli, S.B. | Deposit date: | 2018-12-11 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II. Molecules, 24, 2019
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6NCI
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![BU of 6nci by Molmil](/molmil-images/mine/6nci) | Crystal structure of CDP-Chase: Vector data collection | Descriptor: | D-ribose, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | Authors: | Miller, M.S, Shi, W, Gabelli, S.B. | Deposit date: | 2018-12-11 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II. Molecules, 24, 2019
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8IG0
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![BU of 8ig0 by Molmil](/molmil-images/mine/8ig0) | Crystal structure of menin in complex with DS-1594b | Descriptor: | (1R,2S,4R)-4-[[4-(5,6-dimethoxypyridazin-3-yl)phenyl]methylamino]-2-[methyl-[6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-ol, DIMETHYL SULFOXIDE, Menin, ... | Authors: | Suzuki, M, Yoneyama, T, Imai, E. | Deposit date: | 2023-02-20 | Release date: | 2023-03-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A novel Menin-MLL1 inhibitor, DS-1594a, prevents the progression of acute leukemia with rearranged MLL1 or mutated NPM1. Cancer Cell Int, 23, 2023
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6Z0P
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![BU of 6z0p by Molmil](/molmil-images/mine/6z0p) | BceF Tyrosine Kinase Domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BceF | Authors: | Landau, M, Mayer, M, Abd Alhadi, M, Dvir, H. | Deposit date: | 2020-05-10 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Functional Insights into the Biofilm-Associated BceF Tyrosine Kinase Domain from Burkholderia cepacia . Biomolecules, 11, 2021
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4R91
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![BU of 4r91 by Molmil](/molmil-images/mine/4r91) | BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(cyclopentylamino)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium | Descriptor: | (2E,5R)-5-(2-cyclohexylethyl)-5-{[(1S,3R)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Orth, P, Caldwell, J.P, Strickland, C. | Deposit date: | 2014-09-03 | Release date: | 2014-11-05 | Last modified: | 2014-12-17 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4R95
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![BU of 4r95 by Molmil](/molmil-images/mine/4r95) | BACE-1 in complex with 2-(((1R,3S)-3-(((R)-4-(2-cyclohexylethyl)-2-iminio-1-methyl-5-oxoimidazolidin-4-yl)methyl)cyclohexyl)amino)quinolin-1-ium | Descriptor: | (2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Orth, P, Strickland, C, Caldwell, J.P. | Deposit date: | 2014-09-03 | Release date: | 2014-11-05 | Last modified: | 2014-12-17 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4R92
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![BU of 4r92 by Molmil](/molmil-images/mine/4r92) | BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(isonicotinamido)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium | Descriptor: | Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide | Authors: | Orth, P, Strickland, C, Caldwell, J.P. | Deposit date: | 2014-09-03 | Release date: | 2014-11-05 | Last modified: | 2014-12-17 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4R8Y
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![BU of 4r8y by Molmil](/molmil-images/mine/4r8y) | BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium | Descriptor: | (2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Orth, P, Caldwell, J.P, Strickland, C. | Deposit date: | 2014-09-03 | Release date: | 2014-11-05 | Last modified: | 2014-12-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4R93
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![BU of 4r93 by Molmil](/molmil-images/mine/4r93) | BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-1-methyl-5-oxo-4-(((1S,3R)-3-(3-phenylureido)cyclohexyl)methyl)imidazolidin-2-iminium | Descriptor: | 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Orth, P, Strickland, C, Caldwell, J.P. | Deposit date: | 2014-09-03 | Release date: | 2014-11-05 | Last modified: | 2014-12-17 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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2C0L
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![BU of 2c0l by Molmil](/molmil-images/mine/2c0l) | |
2C0M
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![BU of 2c0m by Molmil](/molmil-images/mine/2c0m) | |
6RUP
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![BU of 6rup by Molmil](/molmil-images/mine/6rup) | Human mitochondrial single-stranded DNA binding protein, SSBP1, at 2.1 A resolution - elucidated sequence | Descriptor: | MAGNESIUM ION, SER-SER-SER-SER, Single-stranded DNA-binding protein, ... | Authors: | Tarres-Sole, A, Chakraborty, A, Spelbrink, H.N, Delettre, C, Sola, M. | Deposit date: | 2019-05-28 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dominant mutations in mtDNA maintenance gene SSBP1 cause optic atrophy and foveopathy. J.Clin.Invest., 130, 2020
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4N1T
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![BU of 4n1t by Molmil](/molmil-images/mine/4n1t) | Structure of human MTH1 in complex with TH287 | Descriptor: | 6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Berntsson, R.P.-A, Jemth, A, Gustafsson, R, Svensson, L.M, Helleday, T, Stenmark, P. | Deposit date: | 2013-10-04 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool. Nature, 508, 2014
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4N1U
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![BU of 4n1u by Molmil](/molmil-images/mine/4n1u) | Structure of human MTH1 in complex with TH588 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, SULFATE ION | Authors: | Berntsson, R.P.-A, Jemth, A, Gustafsson, R, Svensson, L.M, Helleday, T, Stenmark, P. | Deposit date: | 2013-10-04 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool. Nature, 508, 2014
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