6O6I
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1INW
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![BU of 1inw by Molmil](/molmil-images/mine/1inw) | A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES | Descriptor: | (1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | White, C.L, Janakiraman, M.N, Laver, W.G, Philippon, C, Vasella, A, Air, G.M, Luo, M. | Deposit date: | 1994-09-26 | Release date: | 1995-02-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies. J.Mol.Biol., 245, 1995
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2WBC
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![BU of 2wbc by Molmil](/molmil-images/mine/2wbc) | REFINED CRYSTAL STRUCTURE (2.3 ANGSTROM) OF A WINGED BEAN CHYMOTRYPSIN INHIBITOR AND LOCATION OF ITS SECOND REACTIVE SITE | Descriptor: | CHYMOTRYPSIN INHIBITOR | Authors: | Dattagupta, J.K, Podder, A, Chakrabarti, C, Sen, U, Mukhopadhyay, D, Dutta, S.K, Singh, M. | Deposit date: | 1997-11-26 | Release date: | 1998-02-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Refined crystal structure (2.3 A) of a double-headed winged bean alpha-chymotrypsin inhibitor and location of its second reactive site. Proteins, 35, 1999
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3RML
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![BU of 3rml by Molmil](/molmil-images/mine/3rml) | Human Thrombin in complex with MI331 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-04-21 | Release date: | 2012-04-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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3RMS
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![BU of 3rms by Molmil](/molmil-images/mine/3rms) | Crystal structure of uncharacterized protein Svir_20580 from Saccharomonospora viridis | Descriptor: | GLYCEROL, ZINC ION, uncharacterized protein | Authors: | Michalska, K, Weger, A, Hatzos-Skintges, C, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-04-21 | Release date: | 2011-05-11 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.133 Å) | Cite: | Crystal structure of uncharacterized protein Svir_20580 from Saccharomonospora viridis To be Published
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4HT0
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![BU of 4ht0 by Molmil](/molmil-images/mine/4ht0) | Crystal structure of human carbonic anhydrase isozyme II with the inhibitor. | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2012-10-31 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII. Bioorg.Med.Chem., 21, 2013
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4HT2
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![BU of 4ht2 by Molmil](/molmil-images/mine/4ht2) | Crystal structure of human carbonic anhydrase isozyme XII with the inhibitor. | Descriptor: | 1,2-ETHANEDIOL, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 12, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2012-10-31 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | 4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII. Bioorg.Med.Chem., 21, 2013
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2WWD
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![BU of 2wwd by Molmil](/molmil-images/mine/2wwd) | 3D-structure of the modular autolysin LytC from Streptococcus pneumoniae in complex with pneummococcal peptidoglycan fragment | Descriptor: | 1,4-BETA-N-ACETYLMURAMIDASE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALANINE, ... | Authors: | Perez-Dorado, I, Sanles, R, Hermoso, J.A, Gonzalez, A, Garcia, A, Garcia, P, Garcia, J.L. | Deposit date: | 2009-10-22 | Release date: | 2010-04-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Insights Into Pneumococcal Fratricide from the Crystal Structures of the Modular Killing Factor Lytc. Nat.Struct.Mol.Biol., 17, 2010
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6ORC
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![BU of 6orc by Molmil](/molmil-images/mine/6orc) | Crystal structure of Sel1 repeat protein from Oxalobacter formigenes | Descriptor: | Sel1 repeat protein | Authors: | Chang, C, Tesar, C, Endres, M, Babnigg, G, Hassan, H, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2019-04-29 | Release date: | 2020-05-06 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Crystal structure of Sel1 repeat protein from Oxalobacter formigenes To Be Published
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2DCX
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![BU of 2dcx by Molmil](/molmil-images/mine/2dcx) | NMR solution structure of the Dermaseptin antimicrobial peptide analog NC12-K4S4(1-13)a | Descriptor: | 12-AMINO-DODECANOIC ACID, Dermaseptin-4 | Authors: | Shalev, D.E, Rotem, S, Fish, A, Mor, A. | Deposit date: | 2006-01-17 | Release date: | 2006-02-28 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Consequences of N-acylation on structure and membrane binding properties of dermaseptin derivative k4-s4-(1-13) J.Biol.Chem., 281, 2006
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5SKA
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![BU of 5ska by Molmil](/molmil-images/mine/5ska) | Crystal Structure of human phosphodiesterase 10 in complex with 7-[(4-ethoxy-5-methylpyridin-2-yl)methylsulfanyl]-6H-imidazo[4,5-g][1,3]benzothiazole | Descriptor: | 7-{[(4-ethoxy-5-methylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole, MAGNESIUM ION, ZINC ION, ... | Authors: | Joseph, C, Benz, J, Flohr, A, Krasso, A, Rudolph, M.G. | Deposit date: | 2022-02-01 | Release date: | 2022-10-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal Structure of a human phosphodiesterase 10 complex To be published
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6ONW
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![BU of 6onw by Molmil](/molmil-images/mine/6onw) | Crystal structure of Sel1 repeat protein from Oxalobacter formigenes | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Sel1 repeat protein | Authors: | Chang, C, Tesar, C, Endres, M, Babnigg, G, Hassan, H, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2019-04-22 | Release date: | 2020-04-29 | Method: | X-RAY DIFFRACTION (2.951 Å) | Cite: | Crystal structure of Sel1 repeat protein from Oxalobacter formigenes To Be Published
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1BF0
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![BU of 1bf0 by Molmil](/molmil-images/mine/1bf0) | CALCICLUDINE (CAC) FROM GREEN MAMBA DENDROASPIS ANGUSTICEPS, NMR, 15 STRUCTURES | Descriptor: | CALCICLUDINE | Authors: | Gilquin, B, Lecoq, A, Desne, F, Guenneugues, M, Zinn-Justin, S, Menez, A. | Deposit date: | 1998-05-26 | Release date: | 1999-01-13 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Conformational and functional variability supported by the BPTI fold: solution structure of the Ca2+ channel blocker calcicludine. Proteins, 34, 1999
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2YN1
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![BU of 2yn1 by Molmil](/molmil-images/mine/2yn1) | Crystal Structure of Ancestral Thioredoxin Relative to Last Gamma- Proteobacteria Common Ancestor (LGPCA) from the Precambrian Period | Descriptor: | LGPCA THIOREDOXIN, TRIETHYLENE GLYCOL | Authors: | Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M. | Deposit date: | 2012-10-11 | Release date: | 2013-08-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Conservation of Protein Structure Over Four Billion Years Structure, 21, 2013
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2IWJ
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![BU of 2iwj by Molmil](/molmil-images/mine/2iwj) | SOLUTION STRUCTURE OF THE ZN COMPLEX OF HIV-2 NCP(23-49) PEPTIDE, ENCOMPASSING PROTEIN CCHC-LINKER, DISTAL CCHC ZN-BINDING MOTIF AND C- TERMINAL TAIL. | Descriptor: | GAG-POL POLYPROTEIN, ZINC ION | Authors: | Amodeo, P, Castiglione Morelli, M.A, Ostuni, A, Cristinziano, P, Bavoso, A. | Deposit date: | 2006-06-30 | Release date: | 2007-10-09 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structural Features of the C-Terminal Zinc Finger Domain of the HIV-2 Nc Protein (Residues 23-49). To be Published
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2DFD
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![BU of 2dfd by Molmil](/molmil-images/mine/2dfd) | Crystal Structure of Human Malate Dehydrogenase Type 2 | Descriptor: | ALANINE, CHLORIDE ION, D-MALATE, ... | Authors: | Ugochukwu, E, Shafqat, N, Rojkova, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2006-02-28 | Release date: | 2006-03-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Human Malate Dehydrogenase Type 2 To be Published
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6OMG
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![BU of 6omg by Molmil](/molmil-images/mine/6omg) | Structure of mouse CD1D- Glc-DAG (sn-1 C18:0, sn-2 C18:1c9)-iNKT TCR Ternary complex | Descriptor: | (2R)-1-(alpha-D-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate, 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: | Dirk, M.Z, Bitra, A, Wang, J. | Deposit date: | 2019-04-18 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of mouse CD1D- Glc-DAG (sn-1 C18:0, sn-2 C18:1c9)-iNKT TCR Ternary complex To Be Published
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2J0I
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![BU of 2j0i by Molmil](/molmil-images/mine/2j0i) | CRYSTAL STRUCTURE OF THE HUMAN P21-ACTIVATED KINASE 4 | Descriptor: | 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE PAK 4 | Authors: | Debreczeni, J.E, Eswaran, J, Ugochukwu, E, Papagrigoriou, E, Turnbull, A, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Sundstrom, M, Knapp, S. | Deposit date: | 2006-08-03 | Release date: | 2006-08-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of the Human P21-Activated Kinase 4 To be Published
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5SJ1
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![BU of 5sj1 by Molmil](/molmil-images/mine/5sj1) | Crystal Structure of human phosphodiesterase 10 in complex with 7-[(3,5-dimethyl-4-propan-2-yloxypyridin-2-yl)methylsulfinyl]-6H-imidazo[4,5-g][1,3]benzothiazole | Descriptor: | 7-[(3,5-dimethyl-4-propan-2-yloxy-pyridin-2-yl)methyl-oxidanyl-$l^{3}-sulfanyl]-8~{H}-imidazo[4,5-g][1,3]benzothiazole, MAGNESIUM ION, ZINC ION, ... | Authors: | Joseph, C, Benz, J, Flohr, A, Krasso, A, Rudolph, M.G. | Deposit date: | 2022-02-01 | Release date: | 2022-10-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal Structure of a human phosphodiesterase 10 complex To be published
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6ON7
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![BU of 6on7 by Molmil](/molmil-images/mine/6on7) | |
6OWZ
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![BU of 6owz by Molmil](/molmil-images/mine/6owz) | Spy H96L:Im7 L19pI-Phe complex; multiple anomalous datasets contained herein for element identification | Descriptor: | CHLORIDE ION, IMIDAZOLE, IODIDE ION, ... | Authors: | Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S. | Deposit date: | 2019-05-12 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Identifying dynamic, partially occupied residues using anomalous scattering. Acta Crystallogr D Struct Biol, 75, 2019
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5SG8
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![BU of 5sg8 by Molmil](/molmil-images/mine/5sg8) | Crystal Structure of human phosphodiesterase 10 in complex with 5-butoxy-4-ethoxypyrimidin-2-amine | Descriptor: | 5-butoxy-4-ethoxypyrimidin-2-amine, MAGNESIUM ION, ZINC ION, ... | Authors: | Joseph, C, Benz, J, Flohr, A, Gruessner, A, Rudolph, M.G. | Deposit date: | 2022-02-01 | Release date: | 2022-10-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal Structure of a human phosphodiesterase 10 complex To be published
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1WBN
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![BU of 1wbn by Molmil](/molmil-images/mine/1wbn) | fragment based p38 inhibitors | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA | Authors: | Cleasby, A, Devine, L.A, Gill, A.L, Jhoti, H. | Deposit date: | 2004-11-04 | Release date: | 2005-11-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation. J.Med.Chem., 48, 2005
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5SJB
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![BU of 5sjb by Molmil](/molmil-images/mine/5sjb) | Crystal Structure of human phosphodiesterase 10 in complex with 2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-3H-imidazo[4,5-f]quinoline | Descriptor: | 2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-f]quinoline, MAGNESIUM ION, ZINC ION, ... | Authors: | Joseph, C, Benz, J, Flohr, A, Krasso, A, Rudolph, M.G. | Deposit date: | 2022-02-01 | Release date: | 2022-10-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of a human phosphodiesterase 10 complex To be published
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6ORK
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![BU of 6ork by Molmil](/molmil-images/mine/6ork) | Crystal structure of Sel1 repeat protein from Oxalobacter formigenes | Descriptor: | Sel1 repeat protein | Authors: | Chang, C, Tesar, C, Endres, M, Babnigg, G, Hassan, H, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2019-04-30 | Release date: | 2020-05-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of Sel1 repeat protein from Oxalobacter formigenes To Be Published
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