7V13
| Factor XIa in Complex with Compound 2g | Descriptor: | 3-chloranyl-4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-5-fluoranyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain | Authors: | Shaffer, P.L, Milligan, C.M, Cedervall, P. | Deposit date: | 2022-05-11 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.589 Å) | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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7V17
| Factor XIa in Complex with Compound 2k | Descriptor: | 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(3-methylimidazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain | Authors: | Shaffer, P.L, Milligan, C.M, Cedervall, P. | Deposit date: | 2022-05-11 | Release date: | 2022-08-03 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.522 Å) | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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7V0Z
| Factor XIa in Complex with Compound 2a | Descriptor: | Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | Authors: | Shaffer, P.L, Spurlino, J, Milligan, C.M. | Deposit date: | 2022-05-11 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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4Y05
| KIF2C short Loop2 construct | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF2C, MAGNESIUM ION, ... | Authors: | Wang, W, Knossow, M, Gigant, B. | Deposit date: | 2015-02-05 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | New Insights into the Coupling between Microtubule Depolymerization and ATP Hydrolysis by Kinesin-13 Protein Kif2C. J.Biol.Chem., 290, 2015
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5G21
| Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 26). | Descriptor: | ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL), GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | Authors: | Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W. | Deposit date: | 2016-04-06 | Release date: | 2017-02-15 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase. Medchemcomm, 8, 2017
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2NB9
| Solution structure of ZitP zinc finger | Descriptor: | Uncharacterized protein, ZINC ION | Authors: | Campagne, S, Berge, M, Viollier, P.H, Allain, F.H.-T. | Deposit date: | 2016-02-01 | Release date: | 2016-12-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Modularity and determinants of a (bi-)polarization control system from free-living and obligate intracellular bacteria. Elife, 5, 2016
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1B3O
| TERNARY COMPLEX OF HUMAN TYPE-II INOSINE MONOPHOSPHATE DEHYDROGENASE WITH 6-CL-IMP AND SELENAZOLE ADENINE DINUCLEOTIDE | Descriptor: | 6-CHLOROPURINE RIBOSIDE, 5'-MONOPHOSPHATE, PROTEIN (INOSINE MONOPHOSPHATE DEHYDROGENASE 2), ... | Authors: | Colby, T.D, Vanderveen, K, Strickler, M.D, Goldstein, B.M. | Deposit date: | 1998-12-14 | Release date: | 1999-04-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of human type II inosine monophosphate dehydrogenase: implications for ligand binding and drug design. Proc.Natl.Acad.Sci.USA, 96, 1999
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6E54
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4UFW
| Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 22) | Descriptor: | 2-oxopentadecyl-CoA, 4-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide, CHLORIDE ION, ... | Authors: | Yu, Z, Brannigan, J.A, Rangachari, K, Heal, W.P, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | Deposit date: | 2015-03-19 | Release date: | 2016-02-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase Medchemcomm, 6, 2015
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4XGV
| Crystal structure of Escherichia coli Flavin trafficking protein, an FMN transferase | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V. | Deposit date: | 2015-01-02 | Release date: | 2015-12-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.883 Å) | Cite: | Molecular insights into the enzymatic diversity of flavin-trafficking protein (Ftp; formerly ApbE) in flavoprotein biogenesis in the bacterial periplasm. Microbiologyopen, 5, 2016
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3UFZ
| Crystal structure of a Trp-less green fluorescent protein translated by the universal genetic code | Descriptor: | Green fluorescent protein | Authors: | Kawahara-Kobayashi, A, Araiso, Y, Matsuda, T, Yokoyama, S, Kigawa, T, Nureki, O, Kiga, D. | Deposit date: | 2011-11-02 | Release date: | 2012-10-17 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Simplification of the genetic code: restricted diversity of genetically encoded amino acids. Nucleic Acids Res., 40, 2012
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7VY2
| STRUCTURE OF PHOTOSYNTHETIC LH1-RC SUPER-COMPLEX OF RHODOBACTER SPHAEROIDES DIMER | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Antenna pigment protein alpha chain, Antenna pigment protein beta chain, ... | Authors: | Tani, K, Kanno, R, Kawamura, S, Kikuchi, R, Nagashima, K.V.P, Hall, M, Takahashi, A, Yu, L.-J, Kimura, Y, Madigan, M.T, Mizoguchi, A, Humbel, B.M, Wang-Otomo, Z.-Y. | Deposit date: | 2021-11-13 | Release date: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Asymmetric structure of the native Rhodobacter sphaeroides dimeric LH1-RC complex. Nat Commun, 13, 2022
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4UFX
| Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 19) | Descriptor: | 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Yu, Z, Brannigan, J.A, Rangachari, K, Heal, W.P, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | Deposit date: | 2015-03-19 | Release date: | 2016-02-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase Medchemcomm, 6, 2015
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4UFV
| Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 18) | Descriptor: | 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Yu, Z, Brannigan, J.A, Rangachari, K, Heal, W.P, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | Deposit date: | 2015-03-19 | Release date: | 2016-02-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase Medchemcomm, 6, 2015
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5FIA
| Structure of the effector protein LpiR1 (Lpg0634) from Legionella pneumophila | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LpiR1 | Authors: | Beyrakhova, K, van Straaten, K, Cygler, M. | Deposit date: | 2015-12-22 | Release date: | 2016-01-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and Functional Investigations of the Effector Protein LpiR1 from Legionella pneumophila. J.Biol.Chem., 291, 2016
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5FDA
| The high resolution structure of apo form dihydrofolate reductase from Yersinia pestis at 1.55 A | Descriptor: | CHLORIDE ION, Dihydrofolate reductase | Authors: | Chang, C, Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-12-15 | Release date: | 2015-12-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.549 Å) | Cite: | structure of dihydrofolate reductase from Yersinia pestis complex with To Be Published
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6GGZ
| NMR structure of the scorpion toxin AmmTx3 | Descriptor: | Potassium channel toxin alpha-KTx 15.3 | Authors: | Landon, C, Meudal, H. | Deposit date: | 2018-05-04 | Release date: | 2019-01-30 | Last modified: | 2020-03-11 | Method: | SOLUTION NMR | Cite: | Synthesis by native chemical ligation and characterization of the scorpion toxin AmmTx3. Bioorg. Med. Chem., 27, 2019
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4IS6
| Crystal structure of HLA-DR4 bound to GP100 peptide | Descriptor: | HLA class II histocompatibility antigen, DR alpha chain, DRB1-4 beta chain, ... | Authors: | Li, Y. | Deposit date: | 2013-01-16 | Release date: | 2013-10-23 | Last modified: | 2013-11-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Altered MHC Class II-Restricted Peptide Ligands with Heterogeneous Immunogenicity. J.Immunol., 191, 2013
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1LH7
| X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN) | Descriptor: | LEGHEMOGLOBIN (NITROSOBENZENE), NITROSOBENZENE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V. | Deposit date: | 1982-04-23 | Release date: | 1983-01-20 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian) Kristallografiya, 25, 1980
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6EA7
| Structure of EBOV GPcl in complex with the pan-ebolavirus mAb ADI-15878 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | West, B.R, Moyer, C.L, King, L.B, Fusco, M.L, Milligan, J.C, Hui, S, Saphire, E.O. | Deposit date: | 2018-08-02 | Release date: | 2018-09-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (4.25 Å) | Cite: | Structural Basis of Pan-Ebolavirus Neutralization by a Human Antibody against a Conserved, yet Cryptic Epitope. MBio, 9, 2018
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1LH5
| X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN) | Descriptor: | FLUORIDE ION, LEGHEMOGLOBIN (FLUORO MET), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V. | Deposit date: | 1982-04-23 | Release date: | 1983-01-20 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian) Kristallografiya, 25, 1980
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3W51
| Tankyrase in complex with 2-hydroxy-4-methylquinoline | Descriptor: | 4-methylquinolin-2-ol, SULFATE ION, Tankyrase-2, ... | Authors: | Jansson, A.E, Larsson, E.A, Nordlund, P.L. | Deposit date: | 2013-01-18 | Release date: | 2013-07-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-based ligand design of novel potent inhibitors of tankyrases. J.Med.Chem., 56, 2013
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5G5E
| Crystallographic structure of the Tau class glutathione S-transferase MiGSTU from mango Mangifera indica L. | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, TAU CLASS GLUTATHIONE S-TRANSFERASE | Authors: | Valenzuela-Chavira, I, Serrano-Posada, H, Lopez-Zavala, A, Hernandez-Paredes, J, Sotelo-Mundo, R. | Deposit date: | 2016-05-24 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights Into Ligand Binding to a Glutathione S-Transferase from Mango: Structure, Thermodynamics and Kinetics Biochimie, 135, 2017
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5G5F
| Crystallographic structure of the Tau class glutathione S-transferase MiGSTU in complex with reduced glutathione. | Descriptor: | DI(HYDROXYETHYL)ETHER, GLUTATHIONE, TAU CLASS GLUTATHIONE S-TRANSFERASE | Authors: | Valenzuela-Chavira, I, Serrano-Posada, H, Lopez-Zavala, A, Hernandez-Paredes, J, Sotelo-Mundo, R. | Deposit date: | 2016-05-24 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insights Into Ligand Binding to a Glutathione S-Transferase from Mango: Structure, Thermodynamics and Kinetics Biochimie, 135, 2017
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5XNY
| Crystal structure of CreD | Descriptor: | CreD | Authors: | Katsuyama, Y, Sato, Y, Sugai, Y, Higashiyama, Y, Senda, M, Senda, T, Ohnishi, Y. | Deposit date: | 2017-05-25 | Release date: | 2018-03-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Crystal structure of the nitrosuccinate lyase CreD in complex with fumarate provides insights into the catalytic mechanism for nitrous acid elimination FEBS J., 285, 2018
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