5YWZ
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![BU of 5ywz by Molmil](/molmil-images/mine/5ywz) | AID-SUN tandem of SUN1 | Descriptor: | SUN domain-containing protein 1 | Authors: | Xu, Y, Li, W, Feng, W. | Deposit date: | 2017-11-30 | Release date: | 2018-02-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural conservation of the autoinhibitory domain in SUN proteins Biochem. Biophys. Res. Commun., 496, 2018
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5ZDZ
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![BU of 5zdz by Molmil](/molmil-images/mine/5zdz) | Hairpin Forming Complex, RAG1/2-Nicked 12RSS/23RSS complex in Ca2+ | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DNA (30-MER), ... | Authors: | Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W. | Deposit date: | 2018-02-25 | Release date: | 2018-04-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Cracking the DNA Code for V(D)J Recombination Mol. Cell, 70, 2018
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2XBV
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![BU of 2xbv by Molmil](/molmil-images/mine/2xbv) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | Descriptor: | (3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(5-CHLORO-PYRIDIN-2-YL)-AMIDE]-4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | Deposit date: | 2010-04-15 | Release date: | 2010-08-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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2XBX
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![BU of 2xbx by Molmil](/molmil-images/mine/2xbx) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | Descriptor: | (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Banner, D.W, Benz, J, Schlatter, D, Haap, W. | Deposit date: | 2010-04-15 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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1TGB
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![BU of 1tgb by Molmil](/molmil-images/mine/1tgb) | CRYSTAL STRUCTURE OF BOVINE TRYPSINOGEN AT 1.8 ANGSTROMS RESOLUTION. II. CRYSTALLOGRAPHIC REFINEMENT, REFINED CRYSTAL STRUCTURE AND COMPARISON WITH BOVINE TRYPSIN | Descriptor: | CALCIUM ION, TRYPSINOGEN | Authors: | Bode, W, Fehlhammer, H, Huber, R. | Deposit date: | 1979-03-07 | Release date: | 1979-06-13 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of bovine trypsinogen at 1-8 A resolution. II. Crystallographic refinement, refined crystal structure and comparison with bovine trypsin. J.Mol.Biol., 111, 1977
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2XA3
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![BU of 2xa3 by Molmil](/molmil-images/mine/2xa3) | crystal structure of the broadly neutralizing llama VHH D7 and its mode of HIV-1 gp120 interaction | Descriptor: | LLAMA HEAVY CHAIN ANTIBODY D7, SULFATE ION | Authors: | Hinz, A, Lutje Hulsik, D, Forsman, A, Koh, W, Belrhali, H, Gorlani, A, de Haard, H, Weiss, R.A, Verrips, T, Weissenhorn, W. | Deposit date: | 2010-03-29 | Release date: | 2010-05-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of the neutralizing Llama V(HH) D7 and its mode of HIV-1 gp120 interaction. PLoS ONE, 5, 2010
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2XBY
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![BU of 2xby by Molmil](/molmil-images/mine/2xby) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | Descriptor: | (3R,4R)-1-METHYLCARBAMOYLMETHYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W. | Deposit date: | 2010-04-15 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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6CUD
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![BU of 6cud by Molmil](/molmil-images/mine/6cud) | Structure of the human TRPC3 in a lipid-occupied, closed state | Descriptor: | (2R)-3-hydroxypropane-1,2-diyl dihexanoate, (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lu, W, Du, J, Fan, C, Choi, W. | Deposit date: | 2018-03-25 | Release date: | 2018-05-16 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of the human lipid-gated cation channel TRPC3. Elife, 7, 2018
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5I95
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![BU of 5i95 by Molmil](/molmil-images/mine/5i95) | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid | Descriptor: | 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ... | Authors: | Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | Deposit date: | 2016-02-19 | Release date: | 2017-03-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations. Cancer Discov, 7, 2017
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1BJZ
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![BU of 1bjz by Molmil](/molmil-images/mine/1bjz) | |
3AZE
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![BU of 3aze by Molmil](/molmil-images/mine/3aze) | Crystal Structure of Human Nucleosome Core Particle Containing H3K64Q mutation | Descriptor: | 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ... | Authors: | Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H. | Deposit date: | 2011-05-25 | Release date: | 2011-09-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains Biochemistry, 50, 2011
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2PPS
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![BU of 2pps by Molmil](/molmil-images/mine/2pps) | PHOTOSYNTHETIC REACTION CENTER AND CORE ANTENNA SYSTEM (TRIMERIC), ALPHA CARBON ONLY | Descriptor: | CHLOROPHYLL A, IRON/SULFUR CLUSTER, PHOTOSYSTEM I, ... | Authors: | Krauss, N, Schubert, W.-D, Klukas, O, Fromme, P, Witt, H.T, Saenger, W. | Deposit date: | 1997-05-27 | Release date: | 1998-05-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Photosystem I at 4 A resolution represents the first structural model of a joint photosynthetic reaction centre and core antenna system. Nat.Struct.Biol., 3, 1996
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1ATN
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![BU of 1atn by Molmil](/molmil-images/mine/1atn) | Atomic structure of the actin:DNASE I complex | Descriptor: | ACTIN, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | Authors: | Kabsch, W, Mannherz, H.G, Suck, D, Pai, E, Holmes, K.C. | Deposit date: | 1991-03-08 | Release date: | 1992-07-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Atomic structure of the actin:DNase I complex. Nature, 347, 1990
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2XZG
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![BU of 2xzg by Molmil](/molmil-images/mine/2xzg) | Clathrin Terminal Domain Complexed with Pitstop 1 | Descriptor: | 2-(4-AMINOBENZYL)-1,3-DIOXO-2,3-DIHYDRO-1H-BENZO[DE]ISOQUINOLINE-5-SULFONATE, ACETATE ION, CLATHRIN HEAVY CHAIN 1, ... | Authors: | Bulut, H, Von Kleist, L, Saenger, W, Haucke, V. | Deposit date: | 2010-11-25 | Release date: | 2011-08-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Role of the Clathrin Terminal Domain in Regulating Coated Pit Dynamics Revealed by Small Molecule Inhibition. Cell(Cambridge,Mass.), 146, 2011
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2XC5
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![BU of 2xc5 by Molmil](/molmil-images/mine/2xc5) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | Descriptor: | (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-3-FLUORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | Deposit date: | 2010-04-16 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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2XBW
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![BU of 2xbw by Molmil](/molmil-images/mine/2xbw) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | Descriptor: | (3R,4R)-1-SULFAMOYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W. | Deposit date: | 2010-04-15 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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2PTN
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![BU of 2ptn by Molmil](/molmil-images/mine/2ptn) | ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY | Descriptor: | CALCIUM ION, TRYPSIN | Authors: | Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R. | Deposit date: | 1981-10-26 | Release date: | 1982-03-04 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography Acta Crystallogr.,Sect.B, 38, 1982
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1IAB
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![BU of 1iab by Molmil](/molmil-images/mine/1iab) | CRYSTAL STRUCTURES, SPECTROSCOPIC FEATURES, AND CATALYTIC PROPERTIES OF COBALT(II), COPPER(II), NICKEL(II), AND MERCURY(II) DERIVATIVES OF THE ZINC ENDOPEPTIDASE ASTACIN. A CORRELATION OF STRUCTURE AND PROTEOLYTIC ACTIVITY | Descriptor: | ASTACIN, COBALT (II) ION | Authors: | Gomis-Rueth, F.-X, Stoecker, W, Bode, W. | Deposit date: | 1994-05-09 | Release date: | 1994-08-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal structures, spectroscopic features, and catalytic properties of cobalt(II), copper(II), nickel(II), and mercury(II) derivatives of the zinc endopeptidase astacin. A correlation of structure and proteolytic activity. J.Biol.Chem., 269, 1994
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1IAE
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![BU of 1iae by Molmil](/molmil-images/mine/1iae) | CRYSTAL STRUCTURES, SPECTROSCOPIC FEATURES, AND CATALYTIC PROPERTIES OF COBALT(II), COPPER(II), NICKEL(II), AND MERCURY(II) DERIVATIVES OF THE ZINC ENDOPEPTIDASE ASTACIN. A CORRELATION OF STRUCTURE AND PROTEOLYTIC ACTIVITY | Descriptor: | ASTACIN, NICKEL (II) ION | Authors: | Grams, F, Stoecker, W, Bode, W. | Deposit date: | 1994-05-09 | Release date: | 1994-08-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystal structures, spectroscopic features, and catalytic properties of cobalt(II), copper(II), nickel(II), and mercury(II) derivatives of the zinc endopeptidase astacin. A correlation of structure and proteolytic activity. J.Biol.Chem., 269, 1994
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1IAD
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![BU of 1iad by Molmil](/molmil-images/mine/1iad) | REFINED 1.8 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF ASTACIN, A ZINC-ENDOPEPTIDASE FROM THE CRAYFISH ASTACUS ASTACUS L. STRUCTURE DETERMINATION, REFINEMENT, MOLECULAR STRUCTURE AND COMPARISON TO THERMOLYSIN | Descriptor: | ASTACIN | Authors: | Gomis-Rueth, F.-X, Stoecker, W, Bode, W. | Deposit date: | 1994-05-09 | Release date: | 1994-08-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Refined 1.8 A X-ray crystal structure of astacin, a zinc-endopeptidase from the crayfish Astacus astacus L. Structure determination, refinement, molecular structure and comparison with thermolysin. J.Mol.Biol., 229, 1993
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1IAA
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![BU of 1iaa by Molmil](/molmil-images/mine/1iaa) | CRYSTAL STRUCTURES, SPECTROSCOPIC FEATURES, AND CATALYTIC PROPERTIES OF COBALT(II), COPPER(II), NICKEL(II), AND MERCURY(II) DERIVATIVES OF THE ZINC ENDOPEPTIDASE ASTACIN. A CORRELATION OF STRUCTURE AND PROTEOLYTIC ACTIVITY | Descriptor: | ASTACIN, COPPER (II) ION | Authors: | Gomis-Rueth, F.-X, Stoecker, W, Bode, W. | Deposit date: | 1994-05-09 | Release date: | 1994-08-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures, spectroscopic features, and catalytic properties of cobalt(II), copper(II), nickel(II), and mercury(II) derivatives of the zinc endopeptidase astacin. A correlation of structure and proteolytic activity. J.Biol.Chem., 269, 1994
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3D7W
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![BU of 3d7w by Molmil](/molmil-images/mine/3d7w) | Mistletoe Lectin I in Complex with Zeatin | Descriptor: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, (2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Meyer, A, Rypniewski, W, Szymanski, M, Voelter, W, Barciszewski, J, Betzel, C. | Deposit date: | 2008-05-22 | Release date: | 2008-06-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure of mistletoe lectin I from Viscum album in complex with the phytohormone zeatin Biochim.Biophys.Acta, 1784, 2008
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1RNT
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![BU of 1rnt by Molmil](/molmil-images/mine/1rnt) | RESTRAINED LEAST-SQUARES REFINEMENT OF THE CRYSTAL STRUCTURE OF THE RIBONUCLEASE T1(ASTERISK)2(PRIME)-GUANYLIC ACID COMPLEX AT 1.9 ANGSTROMS RESOLUTION | Descriptor: | GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE T1 ISOZYME | Authors: | Saenger, W, Arni, R, Heinemann, U, Tokuoka, R. | Deposit date: | 1987-07-10 | Release date: | 1987-10-16 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Restrained Least-Squares Refinement of the Crystal Structure of the Ribonuclease T1(Asterisk)2(Prime)-Guanylic Acid Complex at 1.9 Angstroms Resolution Acta Crystallogr.,Sect.B, 43, 1987
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2F5T
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![BU of 2f5t by Molmil](/molmil-images/mine/2f5t) | Crystal Structure of the sugar binding domain of the archaeal transcriptional regulator TrmB | Descriptor: | IMIDAZOLE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, archaeal transcriptional regulator TrmB | Authors: | Krug, M, Lee, S.J, Diederichs, K, Boos, W, Welte, W. | Deposit date: | 2005-11-27 | Release date: | 2006-02-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structure of the Sugar Binding Domain of the Archaeal Transcriptional Regulator TrmB J.Biol.Chem., 281, 2006
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2FDP
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![BU of 2fdp by Molmil](/molmil-images/mine/2fdp) | Crystal structure of beta-secretase complexed with an amino-ethylene inhibitor | Descriptor: | Beta-secretase 1, N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | Authors: | Yang, W, Lu, W, Lu, Y, Zhong, M, Sun, J, Thomas, A.E, Wilkinson, J.M, Fucini, R.V, Lam, M, Randal, M, Shi, X.P, Jacobs, J.W, McDowell, R.S, Gordon, E.M, Ballinger, M.D. | Deposit date: | 2005-12-14 | Release date: | 2006-01-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Aminoethylenes: a tetrahedral intermediate isostere yielding potent inhibitors of the aspartyl protease BACE-1. J.Med.Chem., 49, 2006
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