5T7O
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![BU of 5t7o by Molmil](/molmil-images/mine/5t7o) | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ... | Authors: | Di Pisa, F, Dello Iacono, L, Bonucci, A, Mangani, S. | Deposit date: | 2016-09-05 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE To Be Published
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1K6K
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![BU of 1k6k by Molmil](/molmil-images/mine/1k6k) | Crystal Structure of ClpA, an AAA+ Chaperone-like Regulator of ClpAP protease implication to the functional difference of two ATPase domains | Descriptor: | ATP-DEPENDENT CLP PROTEASE ATP-BINDING SUBUNIT CLPA | Authors: | Guo, F, Maurizi, M.R, Esser, L, Xia, D. | Deposit date: | 2001-10-16 | Release date: | 2002-09-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of ClpA, an HSP100 chaperone and regulator of ClpAP protease J.Biol.Chem., 277, 2002
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1NVK
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![BU of 1nvk by Molmil](/molmil-images/mine/1nvk) | T4 phage BGT in complex with UDP and a Mn2+ ion at 1.8 A resolution | Descriptor: | DNA beta-glucosyltransferase, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Lariviere, L, Kurzeck, J, Gueguen-Chaignon, V, Rueger, W, Morera, S. | Deposit date: | 2003-02-04 | Release date: | 2003-09-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of the T4 phage beta-glucosyltransferase and the D100A mutant in complex with UDP-glucose: glucose binding and identification of the catalytic base for a direct displacement mechanism J.Mol.Biol., 330, 2003
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1K91
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![BU of 1k91 by Molmil](/molmil-images/mine/1k91) | Solution Structure of Calreticulin P-domain subdomain (residues 221-256) | Descriptor: | CALRETICULIN | Authors: | Ellgaard, L, Bettendorff, P, Braun, D, Herrmann, T, Fiorito, F, Guntert, P, Helenius, A, Wuthrich, K. | Deposit date: | 2001-10-26 | Release date: | 2002-10-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR Structures of 36 and 73-residue Fragments of the Calreticulin P-domain J.Mol.Biol., 322, 2002
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1K9C
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![BU of 1k9c by Molmil](/molmil-images/mine/1k9c) | Solution Structure of Calreticulin P-domain subdomain (residues 189-261) | Descriptor: | CALRETICULIN | Authors: | Ellgaard, L, Bettendorff, P, Braun, D, Herrmann, T, Fiorito, F, Guntert, P, Helenius, A, Wuthrich, K. | Deposit date: | 2001-10-29 | Release date: | 2002-10-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR Structures of 36 and 73-residue Fragments of the Calreticulin P-domain J.Mol.Biol., 322, 2002
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1O77
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![BU of 1o77 by Molmil](/molmil-images/mine/1o77) | CRYSTAL STRUCTURE OF THE C713S MUTANT OF THE TIR DOMAIN OF HUMAN TLR2 | Descriptor: | TOLL-LIKE RECEPTOR 2 | Authors: | Tao, X, Xu, Y, Ye, Z, Beg, A.A, Tong, L. | Deposit date: | 2002-10-24 | Release date: | 2002-11-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | An Extensively Associated Dimer in the Structure of the C713S Mutant of the Tir Domain of Human Tlr2 Biochem.Biophys.Res.Commun., 299, 2002
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7RKB
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![BU of 7rkb by Molmil](/molmil-images/mine/7rkb) | Crystal Structure of Putative Pterin Binding Protein (PruR) from Klebsiella pneumoniae in Complex with Neopterin | Descriptor: | CHLORIDE ION, L-NEOPTERIN, Pterin Binding Protein, ... | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-07-22 | Release date: | 2022-08-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Putative Pterin Binding Protein (PruR) from Klebsiella pneumoniae in Complex with Neopterin. To Be Published
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1MZY
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![BU of 1mzy by Molmil](/molmil-images/mine/1mzy) | Crystal Structure of Nitrite Reductase | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, MAGNESIUM ION | Authors: | Guo, H, Olesen, K, Xue, Y, Shapliegh, J, Sjolin, L. | Deposit date: | 2002-10-10 | Release date: | 2004-09-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | The High resolution Crystal Structures of Nitrite Reductase and its mutant Met182Thr from Rhodobacter Sphaeroides Reveal a Gating Mechanism for the Electron Transfer to the Type 1 Copper Center To be Published
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5T72
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![BU of 5t72 by Molmil](/molmil-images/mine/5t72) | Human carboanhydrase F131C_C206S double mutant in complex with 2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(HYDROXYMERCURY)BENZOIC ACID, 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide, ... | Authors: | DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J. | Deposit date: | 2016-09-02 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity. ACS Chem. Biol., 13, 2018
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1LTJ
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![BU of 1ltj by Molmil](/molmil-images/mine/1ltj) | Crystal Structure of Recombinant Human Fibrinogen Fragment D with the Peptide Ligands Gly-Pro-Arg-Pro-Amide and Gly-His-Arg-Pro-Amide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fibrinogen Beta chain, ... | Authors: | Kostelansky, M.S, Betts, L, Gorkun, O.V, Lord, S.T. | Deposit date: | 2002-05-20 | Release date: | 2002-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 2.8 A Crystal Structures of Recombinant Fibrinogen Fragment D with and without Two Peptide Ligands: GHRP Binding to the "b" Site Disrupts Its Nearby Calcium-binding Site. Biochemistry, 41, 2002
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5T7J
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![BU of 5t7j by Molmil](/molmil-images/mine/5t7j) | X-ray crystal structure of AA13 LPMO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, ZINC ION | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Tovborg, M, Johansen, K.S, Lo Leggio, L. | Deposit date: | 2016-09-05 | Release date: | 2017-01-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Learning from oligosaccharide soaks of crystals of an AA13 lytic polysaccharide monooxygenase: crystal packing, ligand binding and active-site disorder. Acta Crystallogr D Struct Biol, 73, 2017
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5TNU
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![BU of 5tnu by Molmil](/molmil-images/mine/5tnu) | S. tokodaii XPB II crystal structure at 3.0 Angstrom resolution | Descriptor: | CHLORIDE ION, DNA-dependent ATPase XPBII, GLYCEROL, ... | Authors: | DuPrez, K.T, Hilario, E, Wang, I, Fan, L. | Deposit date: | 2016-10-14 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Application of Electrochemical Devices to Characterize the Dynamic Actions of Helicases on DNA. Anal.Chem., 90, 2018
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4DHN
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![BU of 4dhn by Molmil](/molmil-images/mine/4dhn) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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1N5G
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![BU of 1n5g by Molmil](/molmil-images/mine/1n5g) | |
1LPV
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![BU of 1lpv by Molmil](/molmil-images/mine/1lpv) | DROSOPHILA MELANOGASTER DOUBLESEX (DSX), NMR, 18 STRUCTURES | Descriptor: | Doublesex protein, ZINC ION | Authors: | Zhu, L, Wilken, J, Phillips, N, Narendra, U, Chan, G, Stratton, S, Kent, S, Weiss, M.A. | Deposit date: | 2002-05-08 | Release date: | 2002-10-02 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Sexual dimorphism in diverse metazoans is regulated by a novel class of intertwined zinc fingers. Genes Dev., 14, 2000
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7R6S
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![BU of 7r6s by Molmil](/molmil-images/mine/7r6s) | Crystal Structure of the Putative Bacteriophage Protein from Stenotrophomonas maltophilia | Descriptor: | Putative bacteriophage protein, SULFATE ION | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Brunzelle, J.S, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2021-06-23 | Release date: | 2022-11-09 | Last modified: | 2023-02-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Putative Bacteriophage Protein from Stenotrophomonas maltophilia To Be Published
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5T7B
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![BU of 5t7b by Molmil](/molmil-images/mine/5t7b) | |
5TGZ
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![BU of 5tgz by Molmil](/molmil-images/mine/5tgz) | Crystal Structure of the Human Cannabinoid Receptor CB1 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate, Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1, ... | Authors: | Hua, T, Vemuri, K, Pu, M, Qu, L, Han, G.W, Wu, Y, Zhao, S, Shui, W, Li, S, Korde, A, Laprairie, R.B, Stahl, E.L, Ho, J.H, Zvonok, N, Zhou, H, Kufareva, I, Wu, B, Zhao, Q, Hanson, M.A, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J. | Deposit date: | 2016-09-28 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Human Cannabinoid Receptor CB1. Cell, 167, 2016
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4DX6
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![BU of 4dx6 by Molmil](/molmil-images/mine/4dx6) | Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop | Descriptor: | Acriflavine resistance protein B, DARPIN, DODECYL-BETA-D-MALTOSIDE | Authors: | Eicher, T, Cha, H, Seeger, M.A, Brandstaetter, L, El-Delik, J, Bohnert, J.A, Kern, W.V, Verrey, F, Gruetter, M.G, Diederichs, K, Pos, K.M. | Deposit date: | 2012-02-27 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop. Proc.Natl.Acad.Sci.USA, 109, 2012
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5T8K
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![BU of 5t8k by Molmil](/molmil-images/mine/5t8k) | 1.95 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Adenine and NAD | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENINE, Adenosylhomocysteinase, ... | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Bishop, B, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-09-07 | Release date: | 2016-09-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 1.95 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Adenine and NAD. To Be Published
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7RAV
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![BU of 7rav by Molmil](/molmil-images/mine/7rav) | Cryo-EM structure of the unliganded form of NLR family apoptosis inhibitory protein 5 (NAIP5) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Baculoviral IAP repeat-containing protein 1e | Authors: | Paidimuddala, B, Cao, J, Xie, Q, Wu, H, Zhang, L. | Deposit date: | 2021-07-02 | Release date: | 2023-01-11 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Mechanism of NAIP-NLRC4 inflammasome activation revealed by cryo-EM structure of unliganded NAIP5. Nat.Struct.Mol.Biol., 30, 2023
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5TLS
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![BU of 5tls by Molmil](/molmil-images/mine/5tls) | 2.4 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with DZ2002 and NAD | Descriptor: | (2S)-4-(6-amino-9H-purin-9-yl)-2-hydroxybutanoic acid, Adenosylhomocysteinase, CHLORIDE ION, ... | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Bishop, B, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-10-11 | Release date: | 2016-10-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 2.4 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with DZ2002 and NAD To Be Published
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7R59
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![BU of 7r59 by Molmil](/molmil-images/mine/7r59) | PARP2 catalytic domain in complex with OUL245 | Descriptor: | GLYCEROL, Poly [ADP-ribose] polymerase 2, [1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol | Authors: | Galera-Prat, A, Maksimainen, M.M, Lehtio, L. | Deposit date: | 2022-02-10 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes. J.Med.Chem., 66, 2023
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7R3Z
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![BU of 7r3z by Molmil](/molmil-images/mine/7r3z) | Tankyrase 2 catalytic domain in complex with OUL40 | Descriptor: | 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ... | Authors: | Murthy, S, Venkannagari, H, Maksimainen, M.M, Lehtio, L. | Deposit date: | 2022-02-08 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes. J.Med.Chem., 66, 2023
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7R5D
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![BU of 7r5d by Molmil](/molmil-images/mine/7r5d) | PARP15 catalytic domain in complex with OUL234 | Descriptor: | 6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2022-02-10 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes. J.Med.Chem., 66, 2023
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