4N6O
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![BU of 4n6o by Molmil](/molmil-images/mine/4n6o) | Crystal structure of reduced legumain in complex with cystatin E/M | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IODIDE ION, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dall, E, Brandstetter, H. | Deposit date: | 2013-10-14 | Release date: | 2015-02-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and mechanism of an aspartimide-dependent Peptide ligase in human legumain. Angew.Chem.Int.Ed.Engl., 54, 2015
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4OVE
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![BU of 4ove by Molmil](/molmil-images/mine/4ove) | X-ray Crystal Structure of Mouse Netrin-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Meier, M, Nikodemus, D, Reuten, R, Patel, T.R, Orriss, G, Okun, N, Koch, M, Stetefeld, J. | Deposit date: | 2014-02-21 | Release date: | 2015-02-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural Decoding of the Netrin-1/UNC5 Interaction and its Therapeutical Implications in Cancers. Cancer Cell, 29, 2016
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4PRJ
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2E59
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![BU of 2e59 by Molmil](/molmil-images/mine/2e59) | Crystal structure of human MD-2 in complex with lipid IVa | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose, ... | Authors: | Ohto, U, Satow, Y. | Deposit date: | 2006-12-19 | Release date: | 2007-06-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal structures of human MD-2 and its complex with antiendotoxic lipid IVa Science, 316, 2007
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4IXQ
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![BU of 4ixq by Molmil](/molmil-images/mine/4ixq) | RT fs X-ray diffraction of Photosystem II, dark state | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Alonso-Mori, R, Tran, R, Hattne, J, Gildea, R.J, Echols, N, Gloeckner, C, Hellmich, J, Laksmono, H, Sierra, R.G, Lassalle-Kaiser, B, Koroidov, S, Lampe, A, Han, G, Gul, S, DiFiore, D, Milathianaki, D, Fry, A.R, Miahnahri, A, Schafer, D.W, Messerschmidt, M, Seibert, M.M, Koglin, J.E, Sokaras, D, Weng, T.-C, Sellberg, J, Latimer, M.J, Grosse-Kunstleve, R.W, Zwart, P.H, White, W.E, Glatzel, P, Adams, P.D, Bogan, M.J, Williams, G.J, Boutet, S, Messinger, J, Zouni, A, Sauter, N.K, Yachandra, V.K, Bergmann, U, Yano, J. | Deposit date: | 2013-01-27 | Release date: | 2013-02-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (5.7 Å) | Cite: | Simultaneous femtosecond X-ray spectroscopy and diffraction of photosystem II at room temperature. Science, 340, 2013
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4Q39
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![BU of 4q39 by Molmil](/molmil-images/mine/4q39) | PylD in complex with pyrrolysine and NADH | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Quitterer, F, Beck, P, Bacher, A, Groll, M. | Deposit date: | 2014-04-11 | Release date: | 2014-04-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Formation of Pyrroline and Tetrahydropyridine Rings in Amino Acids Catalyzed by Pyrrolysine Synthase (PylD). Angew.Chem.Int.Ed.Engl., 53, 2014
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4Q3E
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![BU of 4q3e by Molmil](/molmil-images/mine/4q3e) | PylD cocrystallized with L-Ornithine-Nd-D-lysine and NAD+ | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | Quitterer, F, Beck, P, Bacher, A, Groll, M. | Deposit date: | 2014-04-11 | Release date: | 2014-04-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Formation of Pyrroline and Tetrahydropyridine Rings in Amino Acids Catalyzed by Pyrrolysine Synthase (PylD). Angew.Chem.Int.Ed.Engl., 53, 2014
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4Q3D
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![BU of 4q3d by Molmil](/molmil-images/mine/4q3d) | PylD cocrystallized with L-Ornithine-Nd-D-ornithine and NAD+ | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Quitterer, F, Beck, P, Bacher, A, Groll, M. | Deposit date: | 2014-04-11 | Release date: | 2014-04-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Formation of Pyrroline and Tetrahydropyridine Rings in Amino Acids Catalyzed by Pyrrolysine Synthase (PylD). Angew.Chem.Int.Ed.Engl., 53, 2014
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4HUK
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![BU of 4huk by Molmil](/molmil-images/mine/4huk) | MATE transporter NorM-NG in complex with TPP and monobody | Descriptor: | Multidrug efflux protein, Protein B, TETRAPHENYLPHOSPHONIUM | Authors: | Lu, M. | Deposit date: | 2012-11-02 | Release date: | 2013-02-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.59 Å) | Cite: | Structures of a Na+-coupled, substrate-bound MATE multidrug transporter. Proc.Natl.Acad.Sci.USA, 110, 2013
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4N95
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![BU of 4n95 by Molmil](/molmil-images/mine/4n95) | E. coli sliding clamp in complex with 5-chloroindoline-2,3-dione | Descriptor: | 5-chloro-1H-indole-2,3-dione, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-10-19 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
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4GFY
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![BU of 4gfy by Molmil](/molmil-images/mine/4gfy) | Design of peptide inhibitors of phospholipase A2: crystal Structure of phospholipase A2 complexed with a designed tetrapeptide Val - Ilu- Ala - Lys at 2.7 A resolution | Descriptor: | Phospholipase A2 VRV-PL-VIIIa, SULFATE ION, VIAK | Authors: | Shukla, P.K, Sinha, M, Dey, S, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2012-08-04 | Release date: | 2012-08-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design of peptide inhibitors of phospholipase A2: crystal Structure of phospholipase A2 complexed with a designed tetrapeptide Val - Ilu- Ala - Lys at 2.7 A resolution To be Published
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4HWY
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![BU of 4hwy by Molmil](/molmil-images/mine/4hwy) | Trypanosoma brucei procathepsin B solved from 40 fs free-electron laser pulse data by serial femtosecond X-ray crystallography | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Redecke, L, Nass, K, DePonte, D.P, White, T.A, Rehders, D, Barty, A, Stellato, F, Liang, M, Barends, T.R.M, Boutet, S, Williams, G.W, Messerschmidt, M, Seibert, M.M, Aquila, A, Arnlund, D, Bajt, S, Barth, T, Bogan, M.J, Caleman, C, Chao, T.-C, Doak, R.B, Fleckenstein, H, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Johansson, L.C, Kassemeyer, S, Katona, G, Kirian, R.A, Koopmann, R, Kupitz, C, Lomb, L, Martin, A.V, Mogk, S, Neutze, R, Shoemann, R.L, Steinbrener, J, Timneanu, N, Wang, D, Weierstall, U, Zatsepin, N.A, Spence, J.C.H, Fromme, P, Schlichting, I, Duszenko, M, Betzel, C, Chapman, H. | Deposit date: | 2012-11-09 | Release date: | 2012-12-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Natively inhibited Trypanosoma brucei cathepsin B structure determined by using an X-ray laser. Science, 339, 2013
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1ZGC
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![BU of 1zgc by Molmil](/molmil-images/mine/1zgc) | Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (RS)-Tacrine(10)-Hupyridone Inhibitor. | Descriptor: | (5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | Authors: | Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2005-04-21 | Release date: | 2005-08-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase J.Am.Chem.Soc., 127, 2005
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4QIP
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4QX0
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![BU of 4qx0 by Molmil](/molmil-images/mine/4qx0) | Cry3A Toxin structure obtained by Serial Femtosecond Crystallography from in vivo grown crystals isolated from Bacillus thuringiensis and data processed with the cctbx.xfel software suite | Descriptor: | Pesticidal crystal protein cry3Aa | Authors: | Sawaya, M.R, Cascio, D, Gingery, M, Rodriguez, J, Goldschmidt, L, Colletier, J.-P, Messerschmidt, M, Boutet, S, Koglin, J.E, Williams, G.J, Brewster, A.S, Nass, K, Hattne, J, Botha, S, Doak, R.B, Shoeman, R.L, DePonte, D.P, Park, H.-W, Federici, B.A, Sauter, N.K, Schlichting, I, Eisenberg, D. | Deposit date: | 2014-07-17 | Release date: | 2014-08-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Protein crystal structure obtained at 2.9 angstrom resolution from injecting bacterial cells into an X-ray free-electron laser beam. Proc.Natl.Acad.Sci.USA, 111, 2014
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1ZGB
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![BU of 1zgb by Molmil](/molmil-images/mine/1zgb) | Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (R)-Tacrine(10)-Hupyridone Inhibitor. | Descriptor: | (5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | Authors: | Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2005-04-21 | Release date: | 2005-08-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase J.Am.Chem.Soc., 127, 2005
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4I0O
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4A81
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![BU of 4a81 by Molmil](/molmil-images/mine/4a81) | Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in ternary complex with 8-Anilinonaphthalene-1-sulfonate (ANS) and deoxycholic acid | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, ... | Authors: | Kofler, S, Brandstetter, H. | Deposit date: | 2011-11-18 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1. J.Mol.Biol., 422, 2012
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4A85
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![BU of 4a85 by Molmil](/molmil-images/mine/4a85) | Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in complex with kinetin. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAJOR POLLEN ALLERGEN BET V 1-A, ... | Authors: | Kofler, S, Brandstetter, H. | Deposit date: | 2011-11-18 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1. J.Mol.Biol., 422, 2012
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4A87
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![BU of 4a87 by Molmil](/molmil-images/mine/4a87) | |
4A88
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![BU of 4a88 by Molmil](/molmil-images/mine/4a88) | |
4AM2
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![BU of 4am2 by Molmil](/molmil-images/mine/4am2) | Bacterioferritin from Blastochloris viridis | Descriptor: | BACTERIOFERRITIN, FE (III) ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wahlgren, W.Y, Omran, H, von Stetten, D, Royant, A, van der Post, S, Katona, G. | Deposit date: | 2012-03-07 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Characterization of Bacterioferritin from Blastochloris Viridis. Plos One, 7, 2012
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4A8V
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![BU of 4a8v by Molmil](/molmil-images/mine/4a8v) | Crystal Structure of Birch Pollen Allergen Bet v 1 isoform j in complex with 8-Anilinonaphthalene-1-sulfonate (ANS) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, ... | Authors: | Kofler, S, Brandstetter, H. | Deposit date: | 2011-11-21 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1. J.Mol.Biol., 422, 2012
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4A80
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4AM4
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![BU of 4am4 by Molmil](/molmil-images/mine/4am4) | Bacterioferritin from Blastochloris viridis | Descriptor: | BACTERIOFERRITIN, FE (III) ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wahlgren, W.Y, Omran, H, von Stetten, D, Royant, A, van der Post, S, Katona, G. | Deposit date: | 2012-03-07 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural Characterization of Bacterioferritin from Blastochloris Viridis. Plos One, 7, 2012
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