7RTR
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6NF1
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7RAC
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6NEW
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7RAB
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7RBW
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![BU of 7rbw by Molmil](/molmil-images/mine/7rbw) | Structure of Biliverdin-binding Serpin of Boana punctata (polka-dot tree frog) | Descriptor: | BILIVERDINE IX ALPHA, Biliverdin bindin serpin | Authors: | Fedorov, E, Manoilov, K.Y, Verkhusha, V, Almo, S.C, Ghosh, A. | Deposit date: | 2021-07-06 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural and Functional Characterization of a Biliverdin-Binding Near-Infrared Fluorescent Protein From the Serpin Superfamily. J.Mol.Biol., 434, 2021
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6HNW
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![BU of 6hnw by Molmil](/molmil-images/mine/6hnw) | Human protein kinase CK2 alpha in complex with coumestrol | Descriptor: | Casein kinase II subunit alpha, Coumestrol, SULFATE ION | Authors: | Battistutta, R, Lolli, G. | Deposit date: | 2018-09-17 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibitory Properties of ATP-Competitive Coumestrol and Boldine Are Correlated to Different Modulations of CK2 Flexibility. J.Nat.Prod., 82, 2019
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6PYL
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![BU of 6pyl by Molmil](/molmil-images/mine/6pyl) | Crystal Structure of HLA-B*2703 in complex with KK10, an HIV peptide | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27:03 alpha chain, ... | Authors: | Gras, S. | Deposit date: | 2019-07-30 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation. J.Biol.Chem., 294, 2019
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4NU1
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![BU of 4nu1 by Molmil](/molmil-images/mine/4nu1) | Crystal structure of a transition state mimic of the GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Axin-1, ... | Authors: | Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I. | Deposit date: | 2013-12-03 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6. Elife, 3, 2014
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6NKL
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![BU of 6nkl by Molmil](/molmil-images/mine/6nkl) | 2.2 A resolution structure of VapBC-1 from nontypeable Haemophilus influenzae | Descriptor: | Antitoxin VapB1, Ribonuclease VapC | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Molinaro, A.L, Daines, D.A. | Deposit date: | 2019-01-07 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of VapBC-1 from Nontypeable Haemophilus influenzae and the Effect of PIN Domain Mutations on Survival during Infection. J.Bacteriol., 201, 2019
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6NLF
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![BU of 6nlf by Molmil](/molmil-images/mine/6nlf) | 1.45 A resolution structure of apo BfrB from Pseudomonas aeruginosa | Descriptor: | Ferroxidase, POTASSIUM ION | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | Deposit date: | 2019-01-08 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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6NRG
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![BU of 6nrg by Molmil](/molmil-images/mine/6nrg) | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT57 | Descriptor: | 2-{[3-fluoro-4-(1H-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2019-01-23 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J.Med.Chem., 62, 2019
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4O2Z
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![BU of 4o2z by Molmil](/molmil-images/mine/4o2z) | Crystal Structure of MPK3 from Leishmania donovani, LdBPK_100540 in the presence of NVP-BBT594 | Descriptor: | 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-indole-1-carboxamide, Mitogen-activated protein kinase 3, putative | Authors: | Wernimont, A.K, Walker, J.R, Hutchinson, A, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Hui, R, Mangos, M, Structural Genomics Consortium (SGC) | Deposit date: | 2013-12-17 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Crystal Structure of MPK3 from Leishmania donovani, LdBPK_100540 in the presence of NVP-BBT594 To be Published
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6NFY
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![BU of 6nfy by Molmil](/molmil-images/mine/6nfy) | Crystal structure of nonphosphorylated, HPK1 kinase domain in complex with sunitinib in the inactive state. | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 1, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide | Authors: | Johnson, E, McTigue, M, Cronin, C.N. | Deposit date: | 2018-12-21 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation. J.Biol.Chem., 294, 2019
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6NM4
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![BU of 6nm4 by Molmil](/molmil-images/mine/6nm4) | Crystal structure of SAM-bound PRDM9 in complex with MRK-740 inhibitor | Descriptor: | 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane, Histone-lysine N-methyltransferase PRDM9, S-ADENOSYLMETHIONINE, ... | Authors: | Ivanochko, D, Halabelian, L, Fischer, C, Sanders, J.M, Kattar, S.D, Brown, P.J, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2019-01-10 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Discovery of a chemical probe for PRDM9. Nat Commun, 10, 2019
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4OMO
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![BU of 4omo by Molmil](/molmil-images/mine/4omo) | Crystal structure of the c-Src tyrosine kinase SH3 domain mutant Q128E | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, Proto-oncogene tyrosine-protein kinase Src | Authors: | Camara-Artigas, A, Bacarizo, J. | Deposit date: | 2014-01-27 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Electrostatic Effects in the Folding of the SH3 Domain of the c-Src Tyrosine Kinase: pH-Dependence in 3D-Domain Swapping and Amyloid Formation. Plos One, 9, 2014
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6HOU
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![BU of 6hou by Molmil](/molmil-images/mine/6hou) | Human protein kinase CK2 alpha in complex with vanillin | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, Casein kinase II subunit alpha, SULFATE ION | Authors: | Battistutta, R, Lolli, G. | Deposit date: | 2018-09-18 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin. Febs J., 287, 2020
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6NLL
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![BU of 6nll by Molmil](/molmil-images/mine/6nll) | 1.80 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 14) | Descriptor: | 4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | Deposit date: | 2019-01-08 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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6NNI
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![BU of 6nni by Molmil](/molmil-images/mine/6nni) | Structure of closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pyrimethamine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, COBALT (II) ION, ... | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | Deposit date: | 2019-01-15 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.561 Å) | Cite: | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates. Acta Crystallogr D Struct Biol, 75, 2019
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6CLV
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![BU of 6clv by Molmil](/molmil-images/mine/6clv) | Staphylococcus aureus Dihydropteroate Synthase (saDHPS) F17L E208K double mutant structure | Descriptor: | 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide, Dihydropteroate synthase | Authors: | Gajewski, S, Griffith, E.C, Wu, Y, White, S.W. | Deposit date: | 2018-03-02 | Release date: | 2018-08-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Structural and Functional Basis for Recurring Sulfa Drug Resistance Mutations inStaphylococcus aureusDihydropteroate Synthase. Front Microbiol, 9, 2018
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6HY4
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6PYB
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![BU of 6pyb by Molmil](/molmil-images/mine/6pyb) | Sex Hormone-binding globulin mutant E176K in complex with DVT | Descriptor: | 4,4'-[(3R,4R)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol), CALCIUM ION, Sex hormone-binding globulin | Authors: | Round, P.W, Das, S, Van Petegem, F. | Deposit date: | 2019-07-29 | Release date: | 2019-12-25 | Last modified: | 2020-02-12 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular interactions between sex hormone-binding globulin and nonsteroidal ligands that enhance androgen activity. J.Biol.Chem., 295, 2020
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6CVE
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![BU of 6cve by Molmil](/molmil-images/mine/6cve) | Crystal structure of Mycobacterium tuberculosis dethiobiotin Synthetase in complex with cytidine triphosphate and 7,8-diaminopelargonic acid | Descriptor: | 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID, ATP-dependent dethiobiotin synthetase BioD, CITRATE ANION, ... | Authors: | Thompson, A.P, Bruning, J.B, Wegener, K.L, Polyak, S.W. | Deposit date: | 2018-03-28 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes Acs Catalysis, 8(11), 2018
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6HXF
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![BU of 6hxf by Molmil](/molmil-images/mine/6hxf) | Human STK10 bound to a maleimide inhibitor | Descriptor: | 1,2-ETHANEDIOL, 3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione, CHLORIDE ION, ... | Authors: | Sorrell, F.J, Salah, E, Serafim, R.A.M, Savitsky, P.A, Krojer, T, Bailey, H.J, Pinkas, D, Burgess-Brown, N.A, von Delft, F, Knapp, S, Arrowsmith, C, Bountra, C, Edwards, A.M, Elkins, J.M. | Deposit date: | 2018-10-17 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Human STK10 bound to a maleimide inhibitor To Be Published
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6HNY
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![BU of 6hny by Molmil](/molmil-images/mine/6hny) | Human protein kinase CK2 alpha in complex with boldine | Descriptor: | 1,2-ETHANEDIOL, Boldine, Casein kinase II subunit alpha, ... | Authors: | Battistutta, R, Lolli, G. | Deposit date: | 2018-09-17 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Inhibitory Properties of ATP-Competitive Coumestrol and Boldine Are Correlated to Different Modulations of CK2 Flexibility. J.Nat.Prod., 82, 2019
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