4Z3F
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![BU of 4z3f by Molmil](/molmil-images/mine/4z3f) | Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with SSEA4 in space group P21 | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, PapG, lectin domain, ... | Authors: | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | Deposit date: | 2015-03-31 | Release date: | 2016-04-13 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity. Chembiochem, 18, 2017
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4Z3J
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![BU of 4z3j by Molmil](/molmil-images/mine/4z3j) | Crystal structure of the lectin domain of PapG from E. coli BI47 in space group P1 | Descriptor: | PapG, lectin domain | Authors: | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | Deposit date: | 2015-03-31 | Release date: | 2016-04-13 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity. Chembiochem, 18, 2017
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3KGT
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![BU of 3kgt by Molmil](/molmil-images/mine/3kgt) | |
3KGS
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![BU of 3kgs by Molmil](/molmil-images/mine/3kgs) | V30M mutant human transthyretin (TTR) (apoV30M) pH 7.5 | Descriptor: | Transthyretin | Authors: | Trivella, D.B, Polikarpov, I. | Deposit date: | 2009-10-29 | Release date: | 2010-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conformational differences between the wild type and V30M mutant transthyretin modulate its binding to genistein: implications to tetramer stability and ligand-binding. J.Struct.Biol., 170, 2010
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3LJ6
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![BU of 3lj6 by Molmil](/molmil-images/mine/3lj6) | |
3KLM
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![BU of 3klm by Molmil](/molmil-images/mine/3klm) | 17beta-HSD1 in complex with DHT | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Estradiol 17-beta-dehydrogenase 1, GLYCEROL | Authors: | Mazumdar, M. | Deposit date: | 2009-11-08 | Release date: | 2010-04-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 17beta-hydroxysteroid dehydrogenase type 1 stimulates breast cancer by dihydrotestosterone inactivation in addition to estradiol production. Mol.Endocrinol., 24, 2010
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3KT2
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![BU of 3kt2 by Molmil](/molmil-images/mine/3kt2) | Crystal Structure of N88D mutant HIV-1 Protease | Descriptor: | Protease | Authors: | Bihani, S.C, Das, A, Prashar, V, Ferrer, J.L, Hosur, M.V. | Deposit date: | 2009-11-24 | Release date: | 2010-02-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Resistance mechanism revealed by crystal structures of unliganded nelfinavir-resistant HIV-1 protease non-active site mutants N88D and N88S. Biochem.Biophys.Res.Commun., 389, 2009
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3LJ7
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3LOW
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![BU of 3low by Molmil](/molmil-images/mine/3low) | |
3LOZ
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3DAE
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3DAZ
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![BU of 3daz by Molmil](/molmil-images/mine/3daz) | Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | Descriptor: | Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION | Authors: | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | Deposit date: | 2008-05-30 | Release date: | 2009-03-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
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3DCC
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![BU of 3dcc by Molmil](/molmil-images/mine/3dcc) | Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | Descriptor: | 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | Deposit date: | 2008-06-03 | Release date: | 2009-03-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
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3MGW
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![BU of 3mgw by Molmil](/molmil-images/mine/3mgw) | Thermodynamics and structure of a salmon cold-active goose-type lysozyme | Descriptor: | COBALT (II) ION, Lysozyme g, SULFATE ION | Authors: | Kyomuhendo, P, Myrnes, B, Brandsdal, B.O, Smalas, A.O, Nilsen, I.W, Helland, R. | Deposit date: | 2010-04-07 | Release date: | 2010-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Thermodynamics and structure of a salmon cold active goose-type lysozyme Comp.Biochem.Physiol. B: Biochem.Mol.Biol., 156, 2010
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2AL4
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![BU of 2al4 by Molmil](/molmil-images/mine/2al4) | CRYSTAL STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH quisqualate and CX614. | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE, Glutamate receptor 2, ... | Authors: | Jin, R, Clark, S, Weeks, A.M, Dudman, J.T, Gouaux, E, Partin, K.M. | Deposit date: | 2005-08-04 | Release date: | 2005-10-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of positive allosteric modulators acting on AMPA receptors. J.Neurosci., 25, 2005
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2YI5
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![BU of 2yi5 by Molmil](/molmil-images/mine/2yi5) | Structural characterization of 5-Aryl-4-(5-substituted-2-4- dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors. | Descriptor: | 4-CHLORO-6-[5-(3,4-DIMETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Roe, S.M, Prodromou, C, Pearl, L.H. | Deposit date: | 2011-05-10 | Release date: | 2012-05-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Co-Crystalization and in Vitro Biological Characterization of 5-Aryl-4-(5-Substituted-2-4-Dihydroxyphenyl)-1,2,3-Thiadiazole Hsp90 Inhibitors. Plos One, 7, 2012
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2YI6
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![BU of 2yi6 by Molmil](/molmil-images/mine/2yi6) | Structural characterization of 5-Aryl-4-(5-substituted-2-4- dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors. | Descriptor: | 4-[5-(4-ETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]-6-ETHYLBENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION | Authors: | Roe, S.M, Prodromou, C, Pearl, L.H. | Deposit date: | 2011-05-10 | Release date: | 2012-05-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Co-Crystalization and in Vitro Biological Characterization of 5-Aryl-4-(5-Substituted-2-4-Dihydroxyphenyl)-1,2,3-Thiadiazole Hsp90 Inhibitors. Plos One, 7, 2012
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3D8W
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![BU of 3d8w by Molmil](/molmil-images/mine/3d8w) | Use of a carbonic Anhydrase II, IX Active-site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | Descriptor: | 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase II, ZINC ION | Authors: | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | Deposit date: | 2008-05-26 | Release date: | 2009-03-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
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2YH5
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![BU of 2yh5 by Molmil](/molmil-images/mine/2yh5) | Structure of the C-terminal domain of BamC | Descriptor: | DAPX PROTEIN, PHOSPHATE ION | Authors: | Zeth, K, Albrecht, R. | Deposit date: | 2011-04-27 | Release date: | 2011-05-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structural Basis of Outer Membrane Protein Biogenesis in Bacteria. J.Biol.Chem., 286, 2011
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2YE6
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3DBU
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![BU of 3dbu by Molmil](/molmil-images/mine/3dbu) | Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | Descriptor: | 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | Deposit date: | 2008-06-02 | Release date: | 2009-03-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
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3QUG
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![BU of 3qug by Molmil](/molmil-images/mine/3qug) | Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Gallium-porphyrin | Descriptor: | GLYCEROL, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING GA, ... | Authors: | Moriwaki, Y, Caaveiro, J.M.M, Tsumoto, K. | Deposit date: | 2011-02-24 | Release date: | 2011-03-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular basis of recognition of antibacterial porphyrins by heme-transporter IsdH-NEAT3 of Staphylococcus aureus. Biochemistry, 50, 2011
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3QUH
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8BCY
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![BU of 8bcy by Molmil](/molmil-images/mine/8bcy) | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 13 | Descriptor: | 9-[2-(3,4-dichlorophenyl)ethyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7~{H}-purine-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Pala, D, Mazzucato, R, Capelli, A.M, Rancati, F, Biagetti, M. | Deposit date: | 2022-10-17 | Release date: | 2023-05-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Application of an "inhalation by design" approach to the identification and in-vitro evaluation of novel purine based PI3K delta inhibitors. Eur.J.Med.Chem., 254, 2023
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6HWR
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![BU of 6hwr by Molmil](/molmil-images/mine/6hwr) | Red kidney bean purple acid phosphatase in complex with adenosine divanadate | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Feder, D, Gahan, L.R, McGeary, R.P, Guddat, L.W, Schenk, G. | Deposit date: | 2018-10-13 | Release date: | 2019-04-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Binding Mode of an ADP Analogue to a Metallohydrolase Mimics the Likely Transition State. Chembiochem, 20, 2019
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