4BSU
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![BU of 4bsu by Molmil](/molmil-images/mine/4bsu) | Structure of the ectodomain of LGR5 in complex with R-spondin-1 (Fu1Fu2) in C2 crystal form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LEUCINE-RICH REPEAT-CONTAINING G-PROTEIN COUPLED RECEPTOR 5, ... | Authors: | Peng, W.C, de Lau, W, Forneris, F, Granneman, J.C.M, Huch, M, Clevers, H, Gros, P. | Deposit date: | 2013-06-11 | Release date: | 2013-06-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of Stem Cell Growth Factor R-Spondin 1 in Complex with the Ectodomain of its Receptor Lgr5. Cell Rep., 3, 2013
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4CD2
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![BU of 4cd2 by Molmil](/molmil-images/mine/4cd2) | LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+ | Descriptor: | DIHYDROFOLATE REDUCTASE, FOLIC ACID | Authors: | Cody, V, Galitsky, N, Rak, D, Luft, J.R, Pangborn, W, Queener, S.F. | Deposit date: | 1999-03-18 | Release date: | 2000-03-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+. Biochemistry, 38, 1999
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4NMH
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![BU of 4nmh by Molmil](/molmil-images/mine/4nmh) | 11-beta-HSD1 in complex with a 3,3-Di-methyl-azetidin-2-one | Descriptor: | (4S)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | McCoull, W, Augustin, M, Blake, C, Ertan, A, Kilgour, E.K, Krapp, S, Moore, J.E, Newcombe, N.J, Packer, M.J, Rees, A, Revill, J, Scott, J.S, Selmi, N, Gerhardt, S, Ogg, D.J, Steinbacher, S, Whittamore, P.R.O. | Deposit date: | 2013-11-15 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Identification and optimisation of 3,3-dimethyl-azetidin-2-ones as potent and selective inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11-beta-HSD1) TO BE PUBLISHED
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4O0Z
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4NWN
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![BU of 4nwn by Molmil](/molmil-images/mine/4nwn) | Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T32-28 | Descriptor: | Propanediol utilization: polyhedral bodies pduT, Uncharacterized protein | Authors: | McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O. | Deposit date: | 2013-12-06 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Accurate design of co-assembling multi-component protein nanomaterials. Nature, 510, 2014
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4O15
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![BU of 4o15 by Molmil](/molmil-images/mine/4o15) | The crystal structure of a mutant NAMPT (S165F) in complex with GNE-618 | Descriptor: | 1,2-ETHANEDIOL, N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | Deposit date: | 2013-12-15 | Release date: | 2014-10-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
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4NFE
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![BU of 4nfe by Molmil](/molmil-images/mine/4nfe) | Human kallikrein-related peptidase 2 in complex with benzamidine | Descriptor: | BENZAMIDINE, Kallikrein-2, SULFATE ION | Authors: | Skala, W, Brandstetter, H, Magdolen, V, Goettig, P. | Deposit date: | 2013-10-31 | Release date: | 2014-10-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-function analyses of human kallikrein-related peptidase 2 establish the 99-loop as master regulator of activity J.Biol.Chem., 289, 2014
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4BPA
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![BU of 4bpa by Molmil](/molmil-images/mine/4bpa) | Crystal structure of AmpDh2 from Pseudomonas aeruginosa in complex with NAG-NAM-NAG-NAM tetrasaccharide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, AMPDH2, ZINC ION | Authors: | Artola-Recolons, C, Martinez-Caballero, S, Lee, M, Carrasco-Lopez, C, Hesek, D, Spink, E, Lastochkin, E, Zhang, W, Hellman, L, Boggess, B, Mobashery, S, Hermoso, J.A. | Deposit date: | 2013-05-23 | Release date: | 2013-07-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Reaction Products and the X-Ray Structure of Ampdh2, a Virulence Determinant of Pseudomonas Aeruginosa. J.Am.Chem.Soc., 135, 2013
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4BPS
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![BU of 4bps by Molmil](/molmil-images/mine/4bps) | Crystal structure of Chorismatase at 1.08 Angstrom resolution. | Descriptor: | 3-(2-CARBOXYETHYL)BENZOIC ACID, FKBO | Authors: | Juneja, P, Hubrich, F, Diederichs, K, Welte, W, Andexer, J.N. | Deposit date: | 2013-05-28 | Release date: | 2013-09-18 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.081 Å) | Cite: | Mechanistic Implications for the Chorismatase Fkbo Based on the Crystal Structure. J.Mol.Biol., 426, 2014
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4BTG
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![BU of 4btg by Molmil](/molmil-images/mine/4btg) | Coordinates of the bacteriophage phi6 capsid subunits (P1A and P1B) fitted into the cryoEM reconstruction of the procapsid at 4.4 A resolution | Descriptor: | MAJOR INNER PROTEIN P1 | Authors: | Nemecek, D, Boura, E, Wu, W, Cheng, N, Plevka, P, Qiao, J, Mindich, L, Heymann, J.B, Hurley, J.H, Steven, A.C. | Deposit date: | 2013-06-17 | Release date: | 2013-08-14 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Subunit Folds and Maturation Pathway of a Dsrna Virus Capsid. Structure, 21, 2013
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4MDC
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![BU of 4mdc by Molmil](/molmil-images/mine/4mdc) | Crystal structure of glutathione S-transferase from Sinorhizobium meliloti 1021, NYSGRC target 021389 | Descriptor: | GLYCEROL, Putative glutathione S-transferase | Authors: | Shabalin, I.G, Bacal, P, Cooper, D.R, Stead, M, Ahmed, M, Hammonds, J, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-08-22 | Release date: | 2013-09-04 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structure of glutathione S-transferase from Sinorhizobium meliloti 1021 To be Published
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4CAV
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![BU of 4cav by Molmil](/molmil-images/mine/4cav) | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a benzofuran ligand R0-09-4879 | Descriptor: | 3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine, CHLORIDE ION, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | Authors: | Robinson, D.A, Fang, W, Raimi, O.G, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F. | Deposit date: | 2013-10-09 | Release date: | 2014-09-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus. Acs Chem.Biol., 10, 2015
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4BVV
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![BU of 4bvv by Molmil](/molmil-images/mine/4bvv) | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | Descriptor: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, APOLIPOPROTEIN(A), SULFATE ION | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | Deposit date: | 2013-06-28 | Release date: | 2014-07-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A) To be Published
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4M7Y
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![BU of 4m7y by Molmil](/molmil-images/mine/4m7y) | Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide, PHOSPHATE ION, ... | Authors: | Mottaghi, K, Hong, B, Tempel, W, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2013-08-12 | Release date: | 2014-09-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product. ACS Infect Dis, 2, 2016
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4BVW
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![BU of 4bvw by Molmil](/molmil-images/mine/4bvw) | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | Descriptor: | 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, 1,2-ETHANEDIOL, APOLIPOPROTEIN(A), ... | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | Deposit date: | 2013-06-28 | Release date: | 2014-07-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A) To be Published
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4CCU
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![BU of 4ccu by Molmil](/molmil-images/mine/4ccu) | Structure of the Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy) pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol | Descriptor: | 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2013-10-28 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib. J.Med.Chem., 57, 2014
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4LVD
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![BU of 4lvd by Molmil](/molmil-images/mine/4lvd) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, N-(4-nitrophenyl)cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4LX2
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![BU of 4lx2 by Molmil](/molmil-images/mine/4lx2) | Crystal structure of Myo5a globular tail domain in complex with melanophilin GTBD | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Melanophilin, Unconventional myosin-Va | Authors: | Pylypenko, O, Attanda, W, Gauquelin, C, Houdusse, A. | Deposit date: | 2013-07-29 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis of myosin V Rab GTPase-dependent cargo recognition. Proc.Natl.Acad.Sci.USA, 110, 2013
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4CCB
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![BU of 4ccb by Molmil](/molmil-images/mine/4ccb) | Structure of the Human Anaplastic Lymphoma Kinase in Complex with 3-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)-5-(5-methyl-1H- pyrazol-4-yl)pyridin-2-amine | Descriptor: | 3-[(1R)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2013-10-21 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib. J.Med.Chem., 57, 2014
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4M0Q
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![BU of 4m0q by Molmil](/molmil-images/mine/4m0q) | Ebola virus VP24 structure | Descriptor: | Membrane-associated protein VP24 | Authors: | Xu, W, Leung, D.W, Borek, D, Amarasinghe, G.K. | Deposit date: | 2013-08-01 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.921 Å) | Cite: | The Marburg Virus VP24 Protein Interacts with Keap1 to Activate the Cytoprotective Antioxidant Response Pathway. Cell Rep, 6, 2014
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4NE4
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![BU of 4ne4 by Molmil](/molmil-images/mine/4ne4) | Crystal structure of ABC transporter substrate binding protein ProX from Agrobacterium tumefaciens cocrystalized with BTB | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ABC transporter, substrate binding protein (Proline/glycine/betaine), ... | Authors: | Tkaczuk, K.L, Nicholls, R, Kagan, O, Chruszcz, M, Domagalski, M.J, Savchenko, A, Joachimiak, A, Murshudov, G, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-10-28 | Release date: | 2013-11-27 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of ABC transporter substrate binding protein ProX from Agrobacterium tumefaciens cocrystalized with BTB To be Published
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4C6G
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![BU of 4c6g by Molmil](/molmil-images/mine/4c6g) | Structural Investigations into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus chinensis | Descriptor: | PHENYLALANINE AMMONIA-LYASE | Authors: | Wybenga, G.G, Szymanski, W, Wu, B, Feringa, B.L, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 2013-09-18 | Release date: | 2014-05-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Investigations Into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus Chinensis. Biochemistry, 53, 2014
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4O0R
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![BU of 4o0r by Molmil](/molmil-images/mine/4o0r) | |
4O16
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![BU of 4o16 by Molmil](/molmil-images/mine/4o16) | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | Descriptor: | 1,2-ETHANEDIOL, 6-({4-[(3,5-difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)imidazo[1,2-a]pyridin-1-ium, Nicotinamide phosphoribosyltransferase, ... | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | Deposit date: | 2013-12-15 | Release date: | 2014-10-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.783 Å) | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
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4NSY
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![BU of 4nsy by Molmil](/molmil-images/mine/4nsy) | Wild-type lysobacter enzymogenes lysc endoproteinase covalently inhibited by TLCK | Descriptor: | CALCIUM ION, CHLORIDE ION, Lysyl endopeptidase, ... | Authors: | Asztalos, P, Muller, A, Holke, W, Sobek, H, Rudolph, M.G. | Deposit date: | 2013-11-29 | Release date: | 2014-04-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic resolution structure of a lysine-specific endoproteinase from Lysobacter enzymogenes suggests a hydroxyl group bound to the oxyanion hole. Acta Crystallogr.,Sect.D, 70, 2014
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