1AJC
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1AJA
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1A9M
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![BU of 1a9m by Molmil](/molmil-images/mine/1a9m) | G48H MUTANT OF HIV-1 PROTEASE IN COMPLEX WITH A PEPTIDIC INHIBITOR U-89360E | Descriptor: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | Authors: | Hong, L, Zhang, X.-J, Foundling, S, Hartsuck, J.A, Tang, J. | Deposit date: | 1998-04-08 | Release date: | 1998-06-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a G48H mutant of HIV-1 protease explains how glycine-48 replacements produce mutants resistant to inhibitor drugs. FEBS Lett., 420, 1997
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1AJ4
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![BU of 1aj4 by Molmil](/molmil-images/mine/1aj4) | STRUCTURE OF CALCIUM-SATURATED CARDIAC TROPONIN C, NMR, 1 STRUCTURE | Descriptor: | CALCIUM ION, TROPONIN C | Authors: | Sia, S.K, Li, M.X, Spyracopoulos, L, Gagne, S.M, Liu, W, Putkey, J.A, Sykes, B.D. | Deposit date: | 1997-05-14 | Release date: | 1998-05-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of cardiac muscle troponin C unexpectedly reveals a closed regulatory domain. J.Biol.Chem., 272, 1997
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103D
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1AKK
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![BU of 1akk by Molmil](/molmil-images/mine/1akk) | SOLUTION STRUCTURE OF OXIDIZED HORSE HEART CYTOCHROME C, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | CYTOCHROME C, HEME C | Authors: | Banci, L, Bertini, I, Gray, H.B, Luchinat, C, Reddig, T, Rosato, A, Turano, P. | Deposit date: | 1997-05-22 | Release date: | 1997-09-17 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Solution structure of oxidized horse heart cytochrome c. Biochemistry, 36, 1997
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1AHR
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6YAA
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![BU of 6yaa by Molmil](/molmil-images/mine/6yaa) | Structure of the (SR) Ca2+-ATPase bound to the inhibitor compound CAD204520 and TNP-ATP | Descriptor: | 4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine, POTASSIUM ION, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE, ... | Authors: | Heit, S, Marchesini, M, Gherli, A, Montanaro, A, Patrizi, L, Sorrentino, C, Pagliaro, L, Rompietti, C, Kitara, S, Olesen, C.E, Moller, J.V, Savi, M, Bocchi, L, Vilella, R, Rizzi, F, Baglione, M, Rastelli, G, Loiacona, C, La Starza, R, Mecucci, C, Stegmair, K, Aversa, F, Stilli, D, Lund Winther, A.M, Sportoletti, P, Dalby-Brown, W, Roti, G, Bublitz, M. | Deposit date: | 2020-03-11 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Blockade of Oncogenic NOTCH1 with the SERCA Inhibitor CAD204520 in T Cell Acute Lymphoblastic Leukemia. Cell Chem Biol, 27, 2020
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1AK1
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![BU of 1ak1 by Molmil](/molmil-images/mine/1ak1) | FERROCHELATASE FROM BACILLUS SUBTILIS | Descriptor: | FERROCHELATASE | Authors: | Al-Karadaghi, S, Hansson, M, Nikonov, S, Jonsson, B, Hederstedt, L. | Deposit date: | 1997-05-28 | Release date: | 1997-12-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of ferrochelatase: the terminal enzyme in heme biosynthesis. Structure, 5, 1997
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2RF1
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![BU of 2rf1 by Molmil](/molmil-images/mine/2rf1) | Crystal structure of ChoX in an unliganded closed conformation | Descriptor: | PUTATIVE GLYCINE BETAINE-BINDING ABC TRANSPORTER PROTEIN | Authors: | Oswald, C, Smits, S.H.J, Hoeing, M, Sohn-Boeser, L, Le Rudulier, D, Schmitt, L, Bremer, E. | Deposit date: | 2007-09-27 | Release date: | 2008-09-16 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of the choline/acetylcholine substrate-binding protein ChoX from Sinorhizobium meliloti in the liganded and unliganded-closed states. J.Biol.Chem., 283, 2008
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1AL1
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![BU of 1al1 by Molmil](/molmil-images/mine/1al1) | CRYSTAL STRUCTURE OF ALPHA1: IMPLICATIONS FOR PROTEIN DESIGN | Descriptor: | ALPHA HELIX PEPTIDE: ELLKKLLEELKG, SULFATE ION | Authors: | Hill, C.P, Anderson, D.H, Wesson, L, Degrado, W.F, Eisenberg, D. | Deposit date: | 1990-07-02 | Release date: | 1991-10-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of alpha 1: implications for protein design. Science, 249, 1990
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5C9C
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![BU of 5c9c by Molmil](/molmil-images/mine/5c9c) | CRYSTAL STRUCTURE OF BRAF(V600E) IN COMPLEX WITH LY3009120 COMPND | Descriptor: | 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea, CHLORIDE ION, Serine/threonine-protein kinase B-raf | Authors: | Edwards, T, Abendroth, J, Chun, L. | Deposit date: | 2015-06-26 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibition of RAF Isoforms and Active Dimers by LY3009120 Leads to Anti-tumor Activities in RAS or BRAF Mutant Cancers. Cancer Cell, 28, 2015
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1AYZ
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1B2M
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![BU of 1b2m by Molmil](/molmil-images/mine/1b2m) | THREE-DIMENSIONAL STRUCTURE OF RIBONULCEASE T1 COMPLEXED WITH AN ISOSTERIC PHOSPHONATE ANALOGUE OF GPU: ALTERNATE SUBSTRATE BINDING MODES AND CATALYSIS. | Descriptor: | 5'-R(*GP*(U34))-3', RIBONUCLEASE T1 | Authors: | Arni, R.K, Watanabe, L, Ward, R.J, Kreitman, R.J, Kumar, K, Walz Jr, F.G. | Deposit date: | 1998-11-27 | Release date: | 1999-03-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Three-dimensional structure of ribonuclease T1 complexed with an isosteric phosphonate substrate analogue of GpU: alternate substrate binding modes and catalysis. Biochemistry, 38, 1999
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1B2W
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![BU of 1b2w by Molmil](/molmil-images/mine/1b2w) | COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF A HUMANIZED AND A CHIMERIC FAB OF AN ANTI-GAMMA-INTERFERON ANTIBODY | Descriptor: | PROTEIN (ANTIBODY (HEAVY CHAIN)), PROTEIN (ANTIBODY (LIGHT CHAIN)) | Authors: | Fan, Z, Shan, L, Goldsteen, B.Z, Guddat, L.W, Thakur, A, Landolfi, N.F, Co, M.S, Vasquez, M, Queen, C, Ramsland, P.A, Edmundson, A.B. | Deposit date: | 1998-12-01 | Release date: | 1999-05-06 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Comparison of the three-dimensional structures of a humanized and a chimeric Fab of an anti-gamma-interferon antibody. J.Mol.Recog., 12, 1999
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1B4J
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![BU of 1b4j by Molmil](/molmil-images/mine/1b4j) | COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF A HUMANIZED AND A CHIMERIC FAB OF AN ANTI-GAMMA-INTERFERON ANTIBODY | Descriptor: | ANTIBODY | Authors: | Fan, Z, Shan, L, Goldsteen, B.Z, Guddat, L.W, Thakur, A, Landolfi, N.F, Co, M.S, Vasques, M, Queen, C, Ramsland, P.A, Edmundson, A.B. | Deposit date: | 1998-12-22 | Release date: | 1999-06-15 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Comparison of the three-dimensional structures of a humanized and a chimeric Fab of an anti-gamma-interferon antibody. J.Mol.Recog., 12, 1999
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1B7A
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![BU of 1b7a by Molmil](/molmil-images/mine/1b7a) | STRUCTURE OF THE PHOSPHATIDYLETHANOLAMINE-BINDING PROTEIN FROM BOVINE BRAIN | Descriptor: | PHOSPHATIDYLETHANOLAMINE-BINDING PROTEIN, PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER | Authors: | Serre, L, Vallee, B, Bureaud, N, Schoentgen, F, Zelwer, C. | Deposit date: | 1999-01-21 | Release date: | 1999-01-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of the phosphatidylethanolamine-binding protein from bovine brain: a novel structural class of phospholipid-binding proteins. Structure, 6, 1998
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6YNQ
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![BU of 6ynq by Molmil](/molmil-images/mine/6ynq) | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | Descriptor: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-04-14 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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1B89
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![BU of 1b89 by Molmil](/molmil-images/mine/1b89) | CLATHRIN HEAVY CHAIN PROXIMAL LEG SEGMENT (BOVINE) | Descriptor: | PROTEIN (CLATHRIN HEAVY CHAIN) | Authors: | Ybe, J.A, Brodsky, F.M, Hofmann, K, Lin, K, Liu, S.-H, Chen, L, Earnest, T.N, Fletterick, R.J, Hwang, P.K. | Deposit date: | 1999-05-27 | Release date: | 1999-06-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Clathrin self-assembly is mediated by a tandemly repeated superhelix. Nature, 399, 1999
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2RIN
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![BU of 2rin by Molmil](/molmil-images/mine/2rin) | ABC-transporter choline binding protein in complex with acetylcholine | Descriptor: | ACETYLCHOLINE, PUTATIVE GLYCINE BETAINE-BINDING ABC TRANSPORTER PROTEIN | Authors: | Oswald, C, Smits, S.H.J, Hoeing, M, Sohn-Boeser, L, Le Rudulier, D, Schmitt, L, Bremer, E. | Deposit date: | 2007-10-12 | Release date: | 2008-09-30 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of the choline/acetylcholine substrate-binding protein ChoX from Sinorhizobium meliloti in the liganded and unliganded-closed states. J.Biol.Chem., 283, 2008
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1AQV
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![BU of 1aqv by Molmil](/molmil-images/mine/1aqv) | GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH P-BROMOBENZYLGLUTATHIONE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, N-[(4S)-4-ammonio-4-carboxybutanoyl]-S-(4-bromobenzyl)-L-cysteinylglycine | Authors: | Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W. | Deposit date: | 1997-08-01 | Release date: | 1997-12-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor. Structure, 5, 1997
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1AQ3
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![BU of 1aq3 by Molmil](/molmil-images/mine/1aq3) | BACTERIOPHAGE MS2 CAPSID PROTEIN/RNA COMPLEX | Descriptor: | PROTEIN (BACTERIOPHAGE MS2 COAT PROTEIN), RNA (5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP*UP*AP*CP*CP*CP*AP*U P*GP*U)-3') | Authors: | Van Den Worm, S, Stonehouse, N, Valegard, K, Liljas, L. | Deposit date: | 1997-08-06 | Release date: | 1997-12-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of MS2 coat protein mutants in complex with wild-type RNA operator fragments. Nucleic Acids Res., 26, 1998
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1AQW
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![BU of 1aqw by Molmil](/molmil-images/mine/1aqw) | GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH GLUTATHIONE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE | Authors: | Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W. | Deposit date: | 1997-08-03 | Release date: | 1998-03-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor. Structure, 5, 1997
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1B3D
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![BU of 1b3d by Molmil](/molmil-images/mine/1b3d) | STROMELYSIN-1 | Descriptor: | CALCIUM ION, N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID, STROMELYSIN-1, ... | Authors: | Chen, L, Rydel, T.J, Dunaway, C.M, Pikul, S, Dunham, K.M, Gu, F, Barnett, B.L. | Deposit date: | 1998-12-09 | Release date: | 1999-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the stromelysin catalytic domain at 2.0 A resolution: inhibitor-induced conformational changes. J.Mol.Biol., 293, 1999
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1B8A
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![BU of 1b8a by Molmil](/molmil-images/mine/1b8a) | ASPARTYL-TRNA SYNTHETASE | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, PROTEIN (ASPARTYL-TRNA SYNTHETASE) | Authors: | Schmitt, E, Moulinier, L, Thierry, J.-C, Moras, D. | Deposit date: | 1999-01-27 | Release date: | 1999-02-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of aspartyl-tRNA synthetase from Pyrococcus kodakaraensis KOD: archaeon specificity and catalytic mechanism of adenylate formation. EMBO J., 17, 1998
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