1Q02
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![BU of 1q02 by Molmil](/molmil-images/mine/1q02) | NMR structure of the UBA domain of p62 (SQSTM1) | Descriptor: | sequestosome 1 | Authors: | Ciani, B, Layfield, R, Cavey, J.R, Sheppard, P.W, Searle, M.S. | Deposit date: | 2003-07-15 | Release date: | 2003-09-30 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the Ubiquitin-associated Domain of p62 (SQSTM1) and Implications for Mutations That Cause Paget's
Disease of Bone J.Biol.Chem., 278, 2003
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8JJS
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![BU of 8jjs by Molmil](/molmil-images/mine/8jjs) | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP10343 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAA-ILE-SAR-SAR-7T2-SAR-IAE-LEU-MEA-MLE-7TK, ... | Authors: | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | Deposit date: | 2023-05-31 | Release date: | 2023-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.534 Å) | Cite: | Development of Orally Bioavailable Peptides Targeting an Intracellular Protein: From a Hit to a Clinical KRAS Inhibitor. J.Am.Chem.Soc., 145, 2023
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8HFP
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![BU of 8hfp by Molmil](/molmil-images/mine/8hfp) | Crystal structure of the methyl-CpG-binding domain of SETDB2 in complex with the cysteine-rich domain of C11orf46 protein | Descriptor: | ARL14 effector protein, Histone-lysine N-methyltransferase SETDB2, SULFATE ION, ... | Authors: | Mahana, Y, Ariyoshi, M, Shirakawa, M. | Deposit date: | 2022-11-11 | Release date: | 2023-11-22 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural evidence for protein-protein interaction between the non-canonical methyl-CpG-binding domain of SETDB proteins and C11orf46. Structure, 32, 2024
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1LKB
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![BU of 1lkb by Molmil](/molmil-images/mine/1lkb) | Porcine Pancreatic Elastase/Na-Complex | Descriptor: | CHLORIDE ION, Elastase 1, SODIUM ION, ... | Authors: | Weiss, M.S, Panjikar, S, Nowak, E, Tucker, P.A. | Deposit date: | 2002-04-24 | Release date: | 2002-08-28 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Metal binding to porcine pancreatic elastase: calcium or not calcium. Acta Crystallogr.,Sect.D, 58, 2002
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5DLS
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![BU of 5dls by Molmil](/molmil-images/mine/5dls) | Identification of Novel, in vivo Active Chk1 Inhibitors Utilizing Structure Guided Drug Design | Descriptor: | 1-benzyl-N-(5-{5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-indol-2-yl}-6-oxo-1,6-dihydropyridin-3-yl)-1H-pyrazole-4-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | Authors: | Massey, A.J, Stokes, S, Browne, H, Foloppe, N, Fiumana, A, Scrace, S, Fallowfield, M, Bedford, S, Webb, P, Baker, L.M, Christie, M, Drysdale, M.J, Wood, M. | Deposit date: | 2015-09-07 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Identification of novel, in vivo active Chk1 inhibitors utilizing structure guided drug design. Oncotarget, 6, 2015
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6OS4
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![BU of 6os4 by Molmil](/molmil-images/mine/6os4) | Calmodulin in complex with farnesyl cysteine methyl ester | Descriptor: | CALCIUM ION, Calmodulin-1, s-farnesyl-l-cysteine methyl ester | Authors: | Grant, B.M.M, Enomoto, M, Lee, K.Y, Back, S.I, Gebregiworgis, T, Ishiyama, N, Ikura, M, Marshall, C. | Deposit date: | 2019-05-01 | Release date: | 2020-04-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Calmodulin disrupts plasma membrane localization of farnesylated KRAS4b by sequestering its lipid moiety. Sci.Signal., 13, 2020
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6ORL
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![BU of 6orl by Molmil](/molmil-images/mine/6orl) | RF1 pre-accommodated 70S complex at 24 ms | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Fu, Z, Indrisiunaite, G, Kaledhonkar, S, Shah, B, Sun, M, Chen, B, Grassucci, R.A, Ehrenberg, M, Frank, J. | Deposit date: | 2019-04-30 | Release date: | 2019-06-19 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | The structural basis for release-factor activation during translation termination revealed by time-resolved cryogenic electron microscopy. Nat Commun, 10, 2019
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6OT3
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![BU of 6ot3 by Molmil](/molmil-images/mine/6ot3) | RF2 accommodated state bound Release complex 70S at 24 ms | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Fu, Z, Indrisiunaite, G, Kaledhonkar, S, Shah, B, Sun, M, Chen, B, Grassucci, R.A, Ehrenberg, M, Frank, J. | Deposit date: | 2019-05-02 | Release date: | 2019-06-19 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | The structural basis for release-factor activation during translation termination revealed by time-resolved cryogenic electron microscopy. Nat Commun, 10, 2019
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5LPJ
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4LGG
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![BU of 4lgg by Molmil](/molmil-images/mine/4lgg) | Structure of 3MB-PP1 bound to analog-sensitive Src kinase | Descriptor: | 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Lopez, M.S, Dar, A.C, Shokat, K.M. | Deposit date: | 2013-06-27 | Release date: | 2013-08-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structure-guided inhibitor design expands the scope of analog-sensitive kinase technology. Acs Chem.Biol., 8, 2013
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5GTI
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![BU of 5gti by Molmil](/molmil-images/mine/5gti) | Native XFEL structure of photosystem II (two flash dataset) | 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: | Suga, M, Shen, J.R. | Deposit date: | 2016-08-20 | Release date: | 2017-03-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL. Nature, 543, 2017
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5LPK
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6OST
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![BU of 6ost by Molmil](/molmil-images/mine/6ost) | RF2 pre-accommodated state bound Release complex 70S at 24ms | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Fu, Z, Indrisiunaite, G, Kaledhonkar, S, Shah, B, Sun, M, Chen, B, Grassucci, R.A, Ehrenberg, M, Frank, J. | Deposit date: | 2019-05-02 | Release date: | 2019-06-19 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | The structural basis for release-factor activation during translation termination revealed by time-resolved cryogenic electron microscopy. Nat Commun, 10, 2019
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1QCY
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![BU of 1qcy by Molmil](/molmil-images/mine/1qcy) | THE CRYSTAL STRUCTURE OF THE I-DOMAIN OF HUMAN INTEGRIN ALPHA1BETA1 | Descriptor: | I-DOMAIN OF INTEGRIN ALPHA1BETA1, MAGNESIUM ION | Authors: | Kankare, J.A, Salminen, T.A, Nymalm, Y, Kaepylae, J, Heino, J, Johnson, M.S. | Deposit date: | 1999-05-12 | Release date: | 2003-09-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Jararhagin-derived RKKH Peptides Induce Structural Changes in a1I Domain of Human Integrin a1b1 J.Biol.Chem., 279, 2004
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1QD7
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![BU of 1qd7 by Molmil](/molmil-images/mine/1qd7) | PARTIAL MODEL FOR 30S RIBOSOMAL SUBUNIT | Descriptor: | CENTRAL FRAGMENT OF 16 S RNA, END FRAGMENT OF 16 S RNA, S15 RIBOSOMAL PROTEIN, ... | Authors: | Clemons Jr, W.M, May, J.L.C, Wimberly, B.T, McCutcheon, J.P, Capel, M.S, Ramakrishnan, V. | Deposit date: | 1999-07-09 | Release date: | 1999-08-31 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (5.5 Å) | Cite: | Structure of a bacterial 30S ribosomal subunit at 5.5 A resolution. Nature, 400, 1999
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8IU0
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![BU of 8iu0 by Molmil](/molmil-images/mine/8iu0) | Cryo-EM structure of the potassium-selective channelrhodopsin HcKCR1 H225F mutant in lipid nanodisc | Descriptor: | (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, HcKCR1, PALMITIC ACID, ... | Authors: | Tajima, S, Kim, Y, Nakamura, S, Yamashita, K, Fukuda, M, Deisseroth, K, Kato, H.E. | Deposit date: | 2023-03-23 | Release date: | 2023-09-06 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Structural basis for ion selectivity in potassium-selective channelrhodopsins. Cell, 186, 2023
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5D9D
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![BU of 5d9d by Molmil](/molmil-images/mine/5d9d) | Luciferin-regenerating enzyme solved by SAD using synchrotron radiation at room temperature | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | Deposit date: | 2015-08-18 | Release date: | 2015-09-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography. Sci Rep, 5, 2015
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1O7V
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![BU of 1o7v by Molmil](/molmil-images/mine/1o7v) | High resolution structure of Siglec-7 | Descriptor: | SIALIC ACID BINDING IG-LIKE LECTIN 7, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Alphey, M.S, Attrill, H, Crocker, P.R, Van Aalten, D.M.F. | Deposit date: | 2002-11-14 | Release date: | 2003-03-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High resolution crystal structures of Siglec-7. Insights into ligand specificity in the Siglec family. J.Biol.Chem., 278, 2003
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8OQ5
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![BU of 8oq5 by Molmil](/molmil-images/mine/8oq5) | |
8OQ4
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![BU of 8oq4 by Molmil](/molmil-images/mine/8oq4) | |
8OTG
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6CHO
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![BU of 6cho by Molmil](/molmil-images/mine/6cho) | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-2-((1-(3-(4-methoxyphenoxy)phenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | Descriptor: | 2-({(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION, ... | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-02-22 | Release date: | 2018-04-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
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8OK2
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![BU of 8ok2 by Molmil](/molmil-images/mine/8ok2) | Bipartite interaction of TOPBP1 with the GINS complex | Descriptor: | DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, DNA replication complex GINS protein PSF3, ... | Authors: | Day, M, Oliver, A.W, Pearl, L.H. | Deposit date: | 2023-03-26 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | TopBP1 utilises a bipartite GINS binding mode to support genome replication. Nat Commun, 15, 2024
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6CKW
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![BU of 6ckw by Molmil](/molmil-images/mine/6ckw) | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-((7-(((S)-2-amino-2-(2-methoxyphenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-3-(3-chlorophenyl)propanenitrile | Descriptor: | (3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-03-01 | Release date: | 2018-04-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
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8OTH
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![BU of 8oth by Molmil](/molmil-images/mine/8oth) | |