1HT2
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![BU of 1ht2 by Molmil](/molmil-images/mine/1ht2) | Nucleotide-Dependent Conformational Changes in a Protease-Associated ATPase HslU | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK LOCUS HSLU, HEAT SHOCK LOCUS HSLV | Authors: | Wang, J, Song, J.J, Seong, I.S, Franklin, M.C, Kamtekar, S, Eom, S.H, Chung, C.H. | Deposit date: | 2000-12-27 | Release date: | 2001-11-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Nucleotide-dependent conformational changes in a protease-associated ATPase HsIU. Structure, 9, 2001
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2ORS
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![BU of 2ors by Molmil](/molmil-images/mine/2ors) | Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine Complex | Descriptor: | 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE, Nitric oxide synthase, ... | Authors: | Adler, M, Whitlow, M. | Deposit date: | 2007-02-04 | Release date: | 2007-04-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors J.Med.Chem., 50, 2007
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5J94
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![BU of 5j94 by Molmil](/molmil-images/mine/5j94) | Human cathepsin K mutant C25S in complex with the allosteric effector NSC13345 | Descriptor: | 2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid, Cathepsin K, SULFATE ION | Authors: | Novinec, M, Korenc, M, Lenarcic, B, Baici, A. | Deposit date: | 2016-04-08 | Release date: | 2016-04-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.22002459 Å) | Cite: | A novel allosteric mechanism in the cysteine peptidase cathepsin K discovered by computational methods. Nat Commun, 5, 2014
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5XWA
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![BU of 5xwa by Molmil](/molmil-images/mine/5xwa) | Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRY, at pH 10 | Descriptor: | Acetylated-Pro-Arg-Tyr Inhibitor, CALCIUM ION, Trypsin | Authors: | Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. | Deposit date: | 2017-06-29 | Release date: | 2018-03-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol., 95, 2018
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5XW9
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![BU of 5xw9 by Molmil](/molmil-images/mine/5xw9) | Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRY, at pH 7 | Descriptor: | Acetylated-Pro-Arg-Tyr Inhibitor, CALCIUM ION, Trypsin | Authors: | Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. | Deposit date: | 2017-06-29 | Release date: | 2018-03-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol., 95, 2018
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2Q2O
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![BU of 2q2o by Molmil](/molmil-images/mine/2q2o) | Crystal structure of H183C Bacillus subtilis ferrochelatase in complex with deuteroporphyrin IX 2,4-disulfonic acid dihydrochloride | Descriptor: | Ferrochelatase, MAGNESIUM ION, PROTOPORPHYRIN IX 2,4-DISULFONIC ACID | Authors: | Karlberg, T, Thorvaldsen, O.H, Al-Karadaghi, S. | Deposit date: | 2007-05-29 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Porphyrin binding and distortion and substrate specificity in the ferrochelatase reaction: the role of active site residues J.Mol.Biol., 378, 2008
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2Q3J
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![BU of 2q3j by Molmil](/molmil-images/mine/2q3j) | Crystal structure of the His183Ala variant of Bacillus subtilis ferrochelatase in complex with N-Methyl Mesoporphyrin | Descriptor: | Ferrochelatase, MAGNESIUM ION, N-METHYL PROTOPORPHYRIN IX 2,4-DISULFONIC ACID | Authors: | Karlberg, T, Thorvaldsen, O.H, Al-Karadaghi, S. | Deposit date: | 2007-05-30 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Porphyrin binding and distortion and substrate specificity in the ferrochelatase reaction: the role of active site residues J.Mol.Biol., 378, 2008
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4C57
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![BU of 4c57 by Molmil](/molmil-images/mine/4c57) | Structure of GAK kinase in complex with a nanobody | Descriptor: | (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, 1,2-ETHANEDIOL, Cyclin-G-associated kinase, ... | Authors: | Chaikuad, A, Keates, T, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S. | Deposit date: | 2013-09-10 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure of Cyclin G-Associated Kinase (Gak) Trapped in Different Conformations Using Nanobodies. Biochem.J., 459, 2014
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7Y42
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![BU of 7y42 by Molmil](/molmil-images/mine/7y42) | |
5XWJ
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![BU of 5xwj by Molmil](/molmil-images/mine/5xwj) | Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, TRE, at pH 7 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Acetylated-THR-ARG-GLU Inhibitor, CALCIUM ION, ... | Authors: | Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. | Deposit date: | 2017-06-29 | Release date: | 2018-03-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol., 95, 2018
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1QB9
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![BU of 1qb9 by Molmil](/molmil-images/mine/1qb9) | |
5WDP
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![BU of 5wdp by Molmil](/molmil-images/mine/5wdp) | H-Ras mutant L120A bound to GMP-PNP at 277K | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Cofsky, J.C, Bandaru, P, Gee, C.L, Kuriyan, J. | Deposit date: | 2017-07-05 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Deconstruction of the Ras switching cycle through saturation mutagenesis. Elife, 6, 2017
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4AMX
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![BU of 4amx by Molmil](/molmil-images/mine/4amx) | CRYSTAL STRUCTURE OF THE GRACILARIOPSIS LEMANEIFORMIS ALPHA-1,4- GLUCAN LYASE Covalent Intermediate Complex with 5-fluoro-glucosyl- fluoride | Descriptor: | 5-fluoro-beta-D-glucopyranose, ALPHA-1,4-GLUCAN LYASE ISOZYME 1, GLYCEROL, ... | Authors: | Rozeboom, H.J, Yu, S, Madrid, S, Kalk, K.H, Dijkstra, B.W. | Deposit date: | 2012-03-14 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Alpha-1,4-Glucan Lyase, a Unique Glycoside Hydrolase Family Member with a Novel Catalytic Mechanism. J.Biol.Chem., 288, 2013
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5XWL
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![BU of 5xwl by Molmil](/molmil-images/mine/5xwl) | Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, TRE, at pH 10 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Acetylated-THR-ARG-GLU Inhibitor, CALCIUM ION, ... | Authors: | Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. | Deposit date: | 2017-06-29 | Release date: | 2018-03-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol., 95, 2018
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1HT1
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![BU of 1ht1 by Molmil](/molmil-images/mine/1ht1) | Nucleotide-Dependent Conformational Changes in a Protease-Associated ATPase HslU | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK LOCUS HSLU, HEAT SHOCK LOCUS HSLV | Authors: | Wang, J, Song, J.J, Seong, I.S, Franklin, M.C, Kamtekar, S, Eom, S.H, Chung, C.H. | Deposit date: | 2000-12-27 | Release date: | 2001-11-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Nucleotide-dependent conformational changes in a protease-associated ATPase HsIU. Structure, 9, 2001
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3CXC
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![BU of 3cxc by Molmil](/molmil-images/mine/3cxc) | The structure of an enhanced oxazolidinone inhibitor bound to the 50S ribosomal subunit of H. marismortui | Descriptor: | (3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide, 23S RIBOSOMAL RNA, 5'-R(*CP*CP*A)-3', ... | Authors: | Ippolito, J.A, Wang, D, Kanyo, Z.F, Duffy, E.M. | Deposit date: | 2008-04-24 | Release date: | 2009-04-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Design at the atomic level: design of biaryloxazolidinones as potent orally active antibiotics. Bioorg.Med.Chem.Lett., 18, 2008
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7WQP
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![BU of 7wqp by Molmil](/molmil-images/mine/7wqp) | Adeno-associated virus serotype PHP.eB in complex with AAVR | Descriptor: | Capsid protein VP1, Dyslexia-associated protein KIAA0319-like protein | Authors: | Xu, G, Lou, Z. | Deposit date: | 2022-01-25 | Release date: | 2022-06-15 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.76 Å) | Cite: | Structural basis for the neurotropic AAV9 and the engineered AAVPHP.eB recognition with cellular receptors. Mol Ther Methods Clin Dev, 26, 2022
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5XW1
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![BU of 5xw1 by Molmil](/molmil-images/mine/5xw1) | Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRN, at pH10 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Acetylated-Pro-Arg-Asn Inhibitor, CALCIUM ION, ... | Authors: | Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. | Deposit date: | 2017-06-28 | Release date: | 2018-07-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Reactive centre loop peptides devoid of potato protease inhibitor-II protein scaffold inhibit serine proteases To Be Published
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5XW8
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![BU of 5xw8 by Molmil](/molmil-images/mine/5xw8) | Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRN, at pH 7 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Acetylated-Pro-Arg-Asn Inhibitor, CALCIUM ION, ... | Authors: | Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. | Deposit date: | 2017-06-29 | Release date: | 2018-03-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol., 95, 2018
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6HPI
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![BU of 6hpi by Molmil](/molmil-images/mine/6hpi) | |
1NAQ
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![BU of 1naq by Molmil](/molmil-images/mine/1naq) | Crystal structure of CUTA1 from E.coli at 1.7 A resolution | Descriptor: | MERCURIBENZOIC ACID, MERCURY (II) ION, Periplasmic divalent cation tolerance protein cutA | Authors: | Calderone, V, Mangani, S, Benvenuti, M, Viezzoli, M.S, Banci, L, Bertini, I, Structural Proteomics in Europe (SPINE) | Deposit date: | 2002-11-28 | Release date: | 2003-11-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The evolutionarily conserved trimeric structure of CutA1 proteins suggests a role in signal transduction. J.Biol.Chem., 278, 2003
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5UP1
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![BU of 5up1 by Molmil](/molmil-images/mine/5up1) | Solution structure of the de novo mini protein EEHEE_rd3_1049 | Descriptor: | EEHEE_rd3_1049 | Authors: | Houliston, S, Rocklin, G.J, Lemak, A, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H. | Deposit date: | 2017-02-01 | Release date: | 2017-07-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Global analysis of protein folding using massively parallel design, synthesis, and testing. Science, 357, 2017
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2ORQ
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![BU of 2orq by Molmil](/molmil-images/mine/2orq) | Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(imidazol-1-yl)phenol and piperonylamine Complex | Descriptor: | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE, 4-(1H-IMIDAZOL-1-YL)PHENOL, Nitric oxide synthase, ... | Authors: | Adler, M, Whitlow, M. | Deposit date: | 2007-02-04 | Release date: | 2007-04-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors J.Med.Chem., 50, 2007
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5WDQ
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![BU of 5wdq by Molmil](/molmil-images/mine/5wdq) | H-Ras mutant L120A bound to GMP-PNP at 100K | Descriptor: | ACETATE ION, CALCIUM ION, GTPase HRas, ... | Authors: | Bandaru, P, Gee, C.L, Kuriyan, J. | Deposit date: | 2017-07-05 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Deconstruction of the Ras switching cycle through saturation mutagenesis. Elife, 6, 2017
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3NWW
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![BU of 3nww by Molmil](/molmil-images/mine/3nww) | P38 Alpha kinase complexed with a 2-aminothiazol-5-yl-pyrimidine based inhibitor | Descriptor: | 1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea, Mitogen-activated protein kinase 14 | Authors: | Sack, J.S. | Deposit date: | 2010-07-12 | Release date: | 2010-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Utilization of a nitrogen-sulfur nonbonding interaction in the design of new 2-aminothiazol-5-yl-pyrimidines as p38alpha MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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