7BF7
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4N0K
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![BU of 4n0k by Molmil](/molmil-images/mine/4n0k) | Atomic resolution crystal structure of a cytochrome c-calixarene complex | Descriptor: | 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, Cytochrome c iso-1, HEME C | Authors: | McGovern, R.E, Pye, V.E, Crowley, P.B. | Deposit date: | 2013-10-02 | Release date: | 2014-09-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | A cytochrome c-calixarene structure at atomic resolution To be Published
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7BGA
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5UNP
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4N33
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![BU of 4n33 by Molmil](/molmil-images/mine/4n33) | Structure of langerin CRD complexed with GlcNAc-beta1-3Gal-beta1-4Glc-beta-CH2CH2N3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, C-type lectin domain family 4 member K, ... | Authors: | Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E. | Deposit date: | 2013-10-06 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Common polymorphisms in human langerin change specificity for glycan ligands. J.Biol.Chem., 288, 2013
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6MA7
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![BU of 6ma7 by Molmil](/molmil-images/mine/6ma7) | Human CYP3A4 bound to an inhibitor fluconazole | Descriptor: | 1,2-ETHANEDIOL, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Cytochrome P450 3A4, ... | Authors: | Sevrioukova, I.F. | Deposit date: | 2018-08-26 | Release date: | 2019-01-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules. Biochemistry, 58, 2019
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7BRY
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![BU of 7bry by Molmil](/molmil-images/mine/7bry) | Bovine Pancreatic Trypsin with 6-Methoxytryptamine (Room Temperature) | Descriptor: | 2-(6-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | Deposit date: | 2020-03-30 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
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7BS5
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![BU of 7bs5 by Molmil](/molmil-images/mine/7bs5) | Bovine Pancreatic Trypsin with 6-Methoxytryptamine (Cryo) | Descriptor: | 2-(6-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | Deposit date: | 2020-03-30 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
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5UPJ
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![BU of 5upj by Molmil](/molmil-images/mine/5upj) | HIV-2 PROTEASE/U99283 COMPLEX | Descriptor: | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE, HIV-2 PROTEASE | Authors: | Watenpaugh, K.D, Mulichak, A.M, Finzel, B.C. | Deposit date: | 1996-12-10 | Release date: | 1997-04-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Use of medium-sized cycloalkyl rings to enhance secondary binding: discovery of a new class of human immunodeficiency virus (HIV) protease inhibitors. J.Med.Chem., 38, 1995
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7BS1
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![BU of 7bs1 by Molmil](/molmil-images/mine/7bs1) | Bovine Pancreatic Trypsin with benzamidine (Room Temperature) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | Deposit date: | 2020-03-30 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
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6E04
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![BU of 6e04 by Molmil](/molmil-images/mine/6e04) | sperm whale myoglobin 1-nitrosopropane | Descriptor: | 1-nitrosopropane, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Herrera, V.E. | Deposit date: | 2018-07-06 | Release date: | 2019-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives. Biochemistry, 62, 2023
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4MTH
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![BU of 4mth by Molmil](/molmil-images/mine/4mth) | Crystal structure of mature human RegIIIalpha | Descriptor: | Regenerating islet-derived protein 3-alpha 15 kDa form, ZINC ION | Authors: | Derebe, M.G. | Deposit date: | 2013-09-19 | Release date: | 2013-11-27 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Antibacterial membrane attack by a pore-forming intestinal C-type lectin. Nature, 505, 2013
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7BS9
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![BU of 7bs9 by Molmil](/molmil-images/mine/7bs9) | Bovine Pancreatic Trypsin with serotonin (Cryo) | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | Deposit date: | 2020-03-30 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
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6MBT
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![BU of 6mbt by Molmil](/molmil-images/mine/6mbt) | Crystal structure of wild-type KRAS bound to GDP and Mg (Space group C2) | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Dharmaiah, S, Tran, T.H, Yan, W, Simanshu, D.K. | Deposit date: | 2018-08-30 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structures of N-terminally processed KRAS provide insight into the role of N-acetylation. Sci Rep, 9, 2019
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4N70
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![BU of 4n70 by Molmil](/molmil-images/mine/4n70) | Pim1 Complexed with a pyridylcarboxamide | Descriptor: | N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1 | Authors: | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | Deposit date: | 2013-10-14 | Release date: | 2013-11-06 | Last modified: | 2014-07-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors. ACS Med Chem Lett, 4, 2013
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5UPZ
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![BU of 5upz by Molmil](/molmil-images/mine/5upz) | HIV-1 wild Type protease with GRL-0518A , an isophthalamide-derived P2-P3 ligand with the para-hydoxymethyl sulfonamide isostere as the P2' group | Descriptor: | CHLORIDE ION, GLYCEROL, N~3~-{(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}-N~1~-methyl-N~1~-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2017-02-05 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex. Bioorg. Med. Chem., 25, 2017
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7N5S
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![BU of 7n5s by Molmil](/molmil-images/mine/7n5s) | ZBTB7A Zinc Finger Domain Bound to -200 Site of Fetal Globin Promoter (Oligo 6) | Descriptor: | DNA Strand I, DNA Strand II, ZINC ION, ... | Authors: | Horton, J.R, Ren, R, Cheng, X. | Deposit date: | 2021-06-06 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Structural basis for human ZBTB7A action at the fetal globin promoter. Cell Rep, 36, 2021
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7BRX
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![BU of 7brx by Molmil](/molmil-images/mine/7brx) | Bovine Pancreatic Trypsin with 5-Methoxytryptamine (Room Temperature) | Descriptor: | 2-(5-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | Deposit date: | 2020-03-30 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
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7BS4
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![BU of 7bs4 by Molmil](/molmil-images/mine/7bs4) | Bovine Pancreatic Trypsin with 5-Methoxytryptamine (Cryo) | Descriptor: | 2-(5-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | Deposit date: | 2020-03-30 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
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5UR9
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![BU of 5ur9 by Molmil](/molmil-images/mine/5ur9) | Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 | Descriptor: | (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid, Fatty acid-binding protein, epidermal, ... | Authors: | Hsu, H.-C, Li, H. | Deposit date: | 2017-02-09 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.19800353 Å) | Cite: | The Antinociceptive Agent SBFI-26 Binds to Anandamide Transporters FABP5 and FABP7 at Two Different Sites. Biochemistry, 56, 2017
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5UR7
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7N5T
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![BU of 7n5t by Molmil](/molmil-images/mine/7n5t) | ZBTB7A Zinc Finger Domain Bound to -200 Site of Fetal Globin Promoter (Oligo 5) | Descriptor: | DNA Strand I, DNA Strand II, ZINC ION, ... | Authors: | Horton, J.R, Ren, R, Cheng, X. | Deposit date: | 2021-06-06 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for human ZBTB7A action at the fetal globin promoter. Cell Rep, 36, 2021
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7BTA
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![BU of 7bta by Molmil](/molmil-images/mine/7bta) | Crystal structure of Rheb D60K mutant bound to GDP | Descriptor: | GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION | Authors: | Zhang, C, Zhang, T, Ding, J. | Deposit date: | 2020-03-31 | Release date: | 2020-06-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular basis for the functions of dominantly active Y35N and inactive D60K Rheb mutants in mTORC1 signaling. J Mol Cell Biol, 12, 2020
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5URC
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![BU of 5urc by Molmil](/molmil-images/mine/5urc) | Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease | Descriptor: | (5-formylfuran-2-yl)methyl acetate, 5-HYDROXYMETHYL-FURFURAL, CARBON MONOXIDE, ... | Authors: | Pagare, P.P, Safo, R.S, Gazi, A. | Deposit date: | 2017-02-10 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Ester and Ether Derivatives of Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease. Mol. Pharm., 14, 2017
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7BTC
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![BU of 7btc by Molmil](/molmil-images/mine/7btc) | Crystal structure of Rheb Y35N mutant bound to GDP | Descriptor: | GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE | Authors: | Zhang, C, Zhang, T, Ding, J. | Deposit date: | 2020-04-01 | Release date: | 2020-06-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Molecular basis for the functions of dominantly active Y35N and inactive D60K Rheb mutants in mTORC1 signaling. J Mol Cell Biol, 12, 2020
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