1ABZ
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![BU of 1abz by Molmil](/molmil-images/mine/1abz) | ALPHA-T-ALPHA, A DE NOVO DESIGNED PEPTIDE, NMR, 23 STRUCTURES | Descriptor: | ALPHA-T-ALPHA | Authors: | Fezoui, Y, Connolly, P.J, Osterhout, J.J. | Deposit date: | 1997-01-31 | Release date: | 1998-02-04 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Solution structure of alpha t alpha, a helical hairpin peptide of de novo design. Protein Sci., 6, 1997
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2X85
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![BU of 2x85 by Molmil](/molmil-images/mine/2x85) | Tailspike protein of E. coli bacteriophage HK620 in complex with hexasaccharide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, TAILSPIKE PROTEIN HK620, ... | Authors: | Lorenzen, N.K, Mueller, J.J, Heinemann, U, Seckler, R, Barbirz, S. | Deposit date: | 2010-03-05 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Single Amino Acid Exchange in Bacteriophage Hk620 Tailspike Protein Results in Thousand-Fold Increase of its Oligosaccharide Affinity. Glycobiology, 23, 2013
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2X6X
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![BU of 2x6x by Molmil](/molmil-images/mine/2x6x) | Tailspike protein mutant D339N of E.coli bacteriophage HK620 in complex with hexasaccharide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TAILSPIKE PROTEIN HK620, alpha-L-rhamnopyranose-(1-6)-alpha-D-glucopyranose-(1-4)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)]alpha-D-galactopyranose | Authors: | Lorenzen, N.K, Mueller, J.J, Heinemann, U, Seckler, R, Barbirz, S. | Deposit date: | 2010-02-22 | Release date: | 2011-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Single Amino Acid Exchange in Bacteriophage Hk620 Tailspike Protein Results in Thousand-Fold Increase of its Oligosaccharide Affinity. Glycobiology, 23, 2013
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4DMX
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![BU of 4dmx by Molmil](/molmil-images/mine/4dmx) | Cathepsin K inhibitor | Descriptor: | (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL | Authors: | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | Deposit date: | 2012-02-08 | Release date: | 2012-07-11 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. J.Med.Chem., 55, 2012
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4DMY
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![BU of 4dmy by Molmil](/molmil-images/mine/4dmy) | Cathepsin K inhibitor | Descriptor: | (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, Cathepsin K, GLYCEROL, ... | Authors: | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | Deposit date: | 2012-02-08 | Release date: | 2012-07-11 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. J.Med.Chem., 55, 2012
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1Q5K
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![BU of 1q5k by Molmil](/molmil-images/mine/1q5k) | crystal structure of Glycogen synthase kinase 3 in complexed with inhibitor | Descriptor: | Glycogen synthase kinase-3 beta, N-(4-METHOXYBENZYL)-N'-(5-NITRO-1,3-THIAZOL-2-YL)UREA | Authors: | Bhat, R, Xue, Y, Berg, S, Hellberg, S, Ormo, M, Nilsson, Y, Radesater, A.C, Jerning, E, Markgren, P.O, Borgegard, T, Nylof, M, Gimenez-Cassina, A, Hernandez, F, Lucas, J.J, Diaz-Mido, J, Avila, J. | Deposit date: | 2003-08-08 | Release date: | 2004-08-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural insights and biological effects of glycogen synthase kinase 3-specific inhibitor AR-A014418. J.Biol.Chem., 278, 2003
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1O0C
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![BU of 1o0c by Molmil](/molmil-images/mine/1o0c) | |
3UBI
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![BU of 3ubi by Molmil](/molmil-images/mine/3ubi) | The Absence of Tertiary Interactions in a Self-Assembled DNA Crystal Structure | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*CP*GP*TP*AP*CP*TP*CP*G)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*AP*GP*GP*CP*TP*GP*C)-3'), DNA (5'-D(P*CP*CP*GP*AP*GP*TP*AP*CP*GP*AP*CP*GP*AP*CP*AP*AP*G)-3'), ... | Authors: | Nguyen, N, Birktoft, J.J, Sha, R, Wang, T, Zheng, J, Constantinou, P.E, Ginell, S.L, Chen, Y, Mao, C, Seeman, N.C. | Deposit date: | 2011-10-24 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (6.8046 Å) | Cite: | The absence of tertiary interactions in a self-assembled DNA crystal structure. J.Mol.Recognit., 25, 2012
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1QSC
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![BU of 1qsc by Molmil](/molmil-images/mine/1qsc) | CRYSTAL STRUCTURE OF THE TRAF DOMAIN OF TRAF2 IN A COMPLEX WITH A PEPTIDE FROM THE CD40 RECEPTOR | Descriptor: | CD40 RECEPTOR, TNF RECEPTOR ASSOCIATED FACTOR 2 | Authors: | McWhirter, S.M, Pullen, S.S, Holton, J.M, Crute, J.J, Kehry, M.R, Alber, T. | Deposit date: | 1999-06-20 | Release date: | 1999-08-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystallographic analysis of CD40 recognition and signaling by human TRAF2. Proc.Natl.Acad.Sci.USA, 96, 1999
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1Q51
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![BU of 1q51 by Molmil](/molmil-images/mine/1q51) | Crystal Structure of Mycobacterium tuberculosis MenB in Complex with Acetoacetyl-Coenzyme A, a Key Enzyme in Vitamin K2 Biosynthesis | Descriptor: | ACETOACETYL-COENZYME A, menB | Authors: | Truglio, J.J, Theis, K, Feng, Y, Gajda, R, Machutta, C, Tonge, P.J, Kisker, C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2003-08-05 | Release date: | 2004-01-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis MenB, a key enzyme in vitamin K2 biosynthesis. J.Biol.Chem., 278, 2003
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1Q52
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![BU of 1q52 by Molmil](/molmil-images/mine/1q52) | Crystal Structure of Mycobacterium tuberculosis MenB, a Key Enzyme in Vitamin K2 Biosynthesis | Descriptor: | menB | Authors: | Truglio, J.J, Theis, K, Feng, Y, Gajda, R, Machutta, C, Tonge, P.J, Kisker, C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2003-08-05 | Release date: | 2004-01-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis MenB, a key enzyme in vitamin K2 biosynthesis. J.Biol.Chem., 278, 2003
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1GP4
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![BU of 1gp4 by Molmil](/molmil-images/mine/1gp4) | Anthocyanidin synthase from Arabidopsis thaliana (selenomethionine substituted) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, ANTHOCYANIDIN SYNTHASE | Authors: | Wilmouth, R.C, Turnbull, J.J, Welford, R.W.D, Clifton, I.J, Prescott, A.G, Schofield, C.J. | Deposit date: | 2001-10-30 | Release date: | 2002-02-21 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and Mechanism of Anthocyanidin Synthase from Arabidopsis Thaliana. Structure, 10, 2002
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4HCE
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![BU of 4hce by Molmil](/molmil-images/mine/4hce) | Crystal structure of the telomeric Saccharomyces cerevisiae Cdc13 OB2 domain | Descriptor: | Cell division control protein 13 | Authors: | Mason, M, Wannat, J.J, Harper, S, Schultz, D.C, Speicher, D.W, Johnson, F.B, Skordalakes, E. | Deposit date: | 2012-09-29 | Release date: | 2012-11-28 | Last modified: | 2013-01-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cdc13 OB2 Dimerization Required for Productive Stn1 Binding and Efficient Telomere Maintenance. Structure, 21, 2013
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1NIP
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![BU of 1nip by Molmil](/molmil-images/mine/1nip) | CRYSTALLOGRAPHIC STRUCTURE OF THE NITROGENASE IRON PROTEIN FROM AZOTOBACTER VINELANDII | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | Authors: | Komiya, H, Georgiadis, M.M, Chakrabarti, P, Woo, D, Kornuc, J.J, Rees, D.C. | Deposit date: | 1992-09-29 | Release date: | 1993-10-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystallographic structure of the nitrogenase iron protein from Azotobacter vinelandii. Science, 257, 1992
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1QR1
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![BU of 1qr1 by Molmil](/molmil-images/mine/1qr1) | POOR BINDING OF A HER-2/NEU EPITOPE (GP2) TO HLA-A2.1 IS DUE TO A LACK OF INTERACTIONS IN THE CENTER OF THE PEPTIDE | Descriptor: | BETA-2 MICROGLOBULIN, GP2 PEPTIDE, HLA-A2.1 HEAVY CHAIN | Authors: | Kuhns, J.J, Batalia, M.A, Yan, S, Collins, E.J. | Deposit date: | 1999-06-17 | Release date: | 2000-01-01 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Poor binding of a HER-2/neu epitope (GP2) to HLA-A2.1 is due to a lack of interactions with the center of the peptide. J.Biol.Chem., 274, 1999
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1F6Y
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2HMG
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![BU of 2hmg by Molmil](/molmil-images/mine/2hmg) | REFINEMENT OF THE INFLUENZA VIRUS HEMAGGLUTININ BY SIMULATED ANNEALING | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ (HA1 CHAIN), HEMAGGLUTININ (HA2 CHAIN), ... | Authors: | Weis, W.I, Bruenger, A.T, Skehel, J.J, Wiley, D.C. | Deposit date: | 1989-09-11 | Release date: | 1991-01-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Refinement of the influenza virus hemagglutinin by simulated annealing. J.Mol.Biol., 212, 1990
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1GP6
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![BU of 1gp6 by Molmil](/molmil-images/mine/1gp6) | Anthocyanidin synthase from Arabidopsis thaliana complexed with trans-dihydroquercetin (with 30 min exposure to O2) | Descriptor: | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, ... | Authors: | Wilmouth, R.C, Turnbull, J.J, Welford, R.W.D, Clifton, I.J, Prescott, A.G, Schofield, C.J. | Deposit date: | 2001-10-30 | Release date: | 2002-02-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and Mechanism of Anthocyanidin Synthase from Arabidopsis Thaliana. Structure, 10, 2002
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1GSG
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![BU of 1gsg by Molmil](/molmil-images/mine/1gsg) | Structure of E.coli glutaminyl-tRNA synthetase complexed with trnagln and ATP at 2.8 Angstroms resolution | Descriptor: | GLUTAMINYL-TRNA SYNTHETASE, TRNAGLN | Authors: | Rould, M.A, Perona, J.J, Soell, D, Steitz, T.A. | Deposit date: | 1990-04-03 | Release date: | 1992-02-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of E. coli glutaminyl-tRNA synthetase complexed with tRNA(Gln) and ATP at 2.8 A resolution. Science, 246, 1989
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3UC0
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![BU of 3uc0 by Molmil](/molmil-images/mine/3uc0) | Crystal structure of domain I of the envelope glycoprotein ectodomain from dengue virus serotype 4 in complex with the fab fragment of the chimpanzee monoclonal antibody 5H2 | Descriptor: | GLYCEROL, Heavy chain, monoclonal antibody 5H2, ... | Authors: | Cockburn, J.J.B, Stura, E.A, Navarro-Sanchez, M.E, Rey, F.A. | Deposit date: | 2011-10-25 | Release date: | 2011-12-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural insights into the neutralization mechanism of a higher primate antibody against dengue virus. Embo J., 31, 2012
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7CRC
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![BU of 7crc by Molmil](/molmil-images/mine/7crc) | Cryo-EM structure of plant NLR RPP1 tetramer in complex with ATR1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Avirulence protein ATR1, ... | Authors: | Ma, S.C, Lapin, D, Liu, L, Sun, Y, Song, W, Zhang, X.X, Logemann, E, Yu, D.L, Wang, J, Jirschitzka, J, Han, Z.F, SchulzeLefert, P, Parker, J.E, Chai, J.J. | Deposit date: | 2020-08-13 | Release date: | 2020-12-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme. Science, 370, 2020
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3UD1
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7CRB
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![BU of 7crb by Molmil](/molmil-images/mine/7crb) | Cryo-EM structure of plant NLR RPP1 LRR-ID domain in complex with ATR1 | Descriptor: | Avirulence protein ATR1, NAD+ hydrolase (NADase) | Authors: | Ma, S.C, Lapin, D, Liu, L, Sun, Y, Song, W, Zhang, X.X, Logemann, E, Yu, D.L, Wang, J, Jirschitzka, J, Han, Z.F, SchulzeLefert, P, Parker, J.E, Chai, J.J. | Deposit date: | 2020-08-13 | Release date: | 2020-12-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme. Science, 370, 2020
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4O8A
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3UYP
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![BU of 3uyp by Molmil](/molmil-images/mine/3uyp) | Crystal structure of the dengue virus serotype 4 envelope protein domain III in complex with the variable domains of Mab 4E11 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Envelope protein, GLYCEROL, ... | Authors: | Cockburn, J.J.B, Navarro Sanchez, M.E, Fretes, N, Urvoas, A, Staropoli, I, Kikuti, C.M, Coffey, L.L, Arenzana Seisdedos, F, Bedouelle, H, Rey, F.A. | Deposit date: | 2011-12-06 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism of dengue virus broad cross-neutralization by a monoclonal antibody. Structure, 20, 2012
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