1K1D
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![BU of 1k1d by Molmil](/molmil-images/mine/1k1d) | Crystal structure of D-hydantoinase | Descriptor: | D-hydantoinase, ZINC ION | Authors: | Cheon, Y.H, Kim, H.S, Han, K.H, Abendroth, J, Niefind, K, Schomburg, D, Wang, J, Kim, Y. | Deposit date: | 2001-09-25 | Release date: | 2002-08-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Crystal structure of D-hydantoinase from Bacillus stearothermophilus: insight into the stereochemistry of enantioselectivity. Biochemistry, 41, 2002
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4IXP
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4B99
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![BU of 4b99 by Molmil](/molmil-images/mine/4b99) | Crystal Structure of MAPK7 (ERK5) with inhibitor | Descriptor: | 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one, MITOGEN-ACTIVATED PROTEIN KINASE 7 | Authors: | Elkins, J.M, Wang, J, Vollmar, M, Mahajan, P, Savitsky, P, Deng, X, Gray, N.S, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S. | Deposit date: | 2012-09-03 | Release date: | 2012-09-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-Ray Crystal Structure of Erk5 (Mapk7) in Complex with a Specific Inhibitor. J.Med.Chem., 56, 2013
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8J22
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![BU of 8j22 by Molmil](/molmil-images/mine/8j22) | Cryo-EM structure of FFAR2 complex bound with TUG-1375 | Descriptor: | (2R,4R)-2-(2-chlorophenyl)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid, Free fatty acid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Tai, L, Li, F, Sun, X, Tang, W, Wang, J. | Deposit date: | 2023-04-14 | Release date: | 2024-01-24 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3. Cell Res., 34, 2024
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8J24
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![BU of 8j24 by Molmil](/molmil-images/mine/8j24) | Cryo-EM structure of FFAR2 complex bound with acetic acid | Descriptor: | ACETATE ION, Free fatty acid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Tai, L, Li, F, Tang, W, Sun, X, Wang, J. | Deposit date: | 2023-04-14 | Release date: | 2024-01-24 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3. Cell Res., 34, 2024
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8J20
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![BU of 8j20 by Molmil](/molmil-images/mine/8j20) | Cryo-EM structure of FFAR3 bound with valeric acid and AR420626 | Descriptor: | (4R)-N-[2,5-bis(chloranyl)phenyl]-4-(furan-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide, Free fatty acid receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Tai, L, Li, F, Sun, X, Tang, W, Wang, J. | Deposit date: | 2023-04-14 | Release date: | 2024-01-24 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3. Cell Res., 34, 2024
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8J21
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![BU of 8j21 by Molmil](/molmil-images/mine/8j21) | Cryo-EM structure of FFAR3 complex bound with butyrate acid | Descriptor: | Free fatty acid receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Tai, L, Li, F, Sun, X, Tang, W, Wang, J. | Deposit date: | 2023-04-14 | Release date: | 2024-01-24 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3. Cell Res., 34, 2024
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1R0E
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![BU of 1r0e by Molmil](/molmil-images/mine/1r0e) | Glycogen synthase kinase-3 beta in complex with 3-indolyl-4-arylmaleimide inhibitor | Descriptor: | 3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-PHENYL]-4-(5-FLUORO-1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE, CITRATE ANION, Glycogen synthase kinase-3 beta | Authors: | Allard, J, Nikolcheva, T, Gong, L, Wang, J, Dunten, P, Avnur, Z, Waters, R, Sun, Q, Skinner, B. | Deposit date: | 2003-09-20 | Release date: | 2004-10-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | From genetics to therapeutics: the Wnt pathway and osteoporosis To be Published
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4BYG
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![BU of 4byg by Molmil](/molmil-images/mine/4byg) | ATPase crystal structure | Descriptor: | COPPER EFFLUX ATPASE, MAGNESIUM ION, POLYETHYLENE GLYCOL (N=34), ... | Authors: | Mattle, D, Drachmann, N.D, Liu, X.Y, Pedersen, B.P, Morth, J.P, Wang, J, Gourdon, P, Nissen, P. | Deposit date: | 2013-07-19 | Release date: | 2014-08-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Dephosphorylation of Pib-Type Cu(I)-Atpases as Studied by Metallofluoride Complexes To be Published
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4BEV
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![BU of 4bev by Molmil](/molmil-images/mine/4bev) | ATPase crystal structure with bound phosphate analogue | Descriptor: | COPPER EFFLUX ATPASE, MAGNESIUM ION, TRIFLUOROMAGNESATE | Authors: | Mattle, D, Drachmann, N.D, Liu, X.Y, Gourdon, P, Pedersen, B.P, Morth, P, Wang, J, Nissen, P. | Deposit date: | 2013-03-12 | Release date: | 2014-04-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.583 Å) | Cite: | ATPase Crystal Structure with Bound Phosphate Analogue To be Published
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7D72
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![BU of 7d72 by Molmil](/molmil-images/mine/7d72) | Cryo-EM structures of human GMPPA/GMPPB complex bound to GDP-Mannose | Descriptor: | GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, MAGNESIUM ION, Mannose-1-phosphate guanyltransferase alpha, ... | Authors: | Zheng, L, Liu, Z, Wang, Y, Yang, F, Wang, J, Qing, J, Cai, X, Mo, X, Gao, N, Jia, D. | Deposit date: | 2020-10-02 | Release date: | 2021-05-05 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structures of human GMPPA-GMPPB complex reveal how cells maintain GDP-mannose homeostasis. Nat.Struct.Mol.Biol., 28, 2021
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7D73
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![BU of 7d73 by Molmil](/molmil-images/mine/7d73) | Cryo-EM structure of GMPPA/GMPPB complex bound to GTP (State I) | Descriptor: | GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, GUANOSINE-5'-TRIPHOSPHATE, Mannose-1-phosphate guanyltransferase alpha, ... | Authors: | Zheng, L, Liu, Z, Wang, Y, Yang, F, Wang, J, Qing, J, Cai, X, Mo, X, Gao, N, Jia, D. | Deposit date: | 2020-10-02 | Release date: | 2021-05-05 | Last modified: | 2021-12-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures of human GMPPA-GMPPB complex reveal how cells maintain GDP-mannose homeostasis. Nat.Struct.Mol.Biol., 28, 2021
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1NMI
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![BU of 1nmi by Molmil](/molmil-images/mine/1nmi) | Solution structure of the imidazole complex of iso-1 cytochrome c | Descriptor: | Cytochrome c, iso-1, HEME C, ... | Authors: | Yao, Y, Tong, Y, Liu, G, Wang, J, Zheng, J, Tang, W. | Deposit date: | 2003-01-10 | Release date: | 2003-02-04 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of the imidazole complex of iso-1 cytochrome c To be Published
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7D74
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![BU of 7d74 by Molmil](/molmil-images/mine/7d74) | Cryo-EM structure of GMPPA/GMPPB complex bound to GTP (state II) | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Mannose-1-phosphate guanyltransferase alpha, Mannose-1-phosphate guanyltransferase beta | Authors: | Zheng, L, Liu, Z, Wang, Y, Yang, F, Wang, J, Qing, J, cai, X, Mo, X, Gao, N, Jia, D. | Deposit date: | 2020-10-02 | Release date: | 2021-05-19 | Last modified: | 2021-12-01 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structures of human GMPPA-GMPPB complex reveal how cells maintain GDP-mannose homeostasis. Nat.Struct.Mol.Biol., 28, 2021
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3PS4
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![BU of 3ps4 by Molmil](/molmil-images/mine/3ps4) | PDZ domain from Human microtubule-associated serine/threonine-protein kinase 1 | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, Microtubule-associated serine/threonine-protein kinase 1 | Authors: | Ugochukwu, E, Wang, J, Krojer, T, Muniz, J.R.C, Sethi, R, Pike, A.C.W, Roos, A, Salah, E, Cocking, R, Savitsky, P, Doyle, D.A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-30 | Release date: | 2010-12-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | PDZ domain from Human microtubule-associated serine/threonine-protein kinase 1 TO BE PUBLISHED
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6ULW
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![BU of 6ulw by Molmil](/molmil-images/mine/6ulw) | Adenylation, ketoreductase, and pseudo Asub multidomain structure of a keto acid-selecting NRPS module | Descriptor: | Amino acid adenylation domain-containing protein, CALCIUM ION, MAGNESIUM ION | Authors: | Alonzo, D.A, Wang, J, Chiche-Lapierre, C, Schmeing, T.M. | Deposit date: | 2019-10-08 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural basis of keto acid utilization in nonribosomal depsipeptide synthesis. Nat.Chem.Biol., 16, 2020
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4AW2
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![BU of 4aw2 by Molmil](/molmil-images/mine/4aw2) | Crystal structure of CDC42 binding protein kinase alpha (MRCK alpha) | Descriptor: | 1,2-ETHANEDIOL, 5,11-dimethyl-1-oxo-2,6-dihydro-1h-pyrido[4,3-b]carbazol-9-yl benzoate, SERINE/THREONINE-PROTEIN KINASE MRCK ALPHA | Authors: | Elkins, J.M, Muniz, J.R.C, Tan, I, Leung, T, Lafanechere, L, Prudent, R, Abdul Azeez, K, Szklarz, M, Phillips, C, Wang, J, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | Deposit date: | 2012-05-30 | Release date: | 2012-06-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cdc42 Binding Protein Kinase Alpha (Mrck Alpha) To be Published
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2PQE
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![BU of 2pqe by Molmil](/molmil-images/mine/2pqe) | Solution structure of proline-free mutant of staphylococcal nuclease | Descriptor: | Thermonuclease | Authors: | Shan, L, Tong, Y, Xie, T, Wang, M, Wang, J. | Deposit date: | 2007-05-01 | Release date: | 2007-06-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Restricted backbone conformational and motional flexibilities of loops containing peptidyl-proline bonds dominate the enzyme activity of staphylococcal nuclease. Biochemistry, 46, 2007
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3T9N
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![BU of 3t9n by Molmil](/molmil-images/mine/3t9n) | Crystal structure of a membrane protein | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Small-conductance mechanosensitive channel | Authors: | Yang, M, Zhang, X, Ge, J, Wang, J. | Deposit date: | 2011-08-03 | Release date: | 2012-10-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.456 Å) | Cite: | Structure and molecular mechanism of an anion-selective mechanosensitive channel of small conductance Proc.Natl.Acad.Sci.USA, 109, 2012
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6UIB
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![BU of 6uib by Molmil](/molmil-images/mine/6uib) | Crystal structure of IL23 bound to peptide 23-652 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ... | Authors: | Durbin, J.D, Wang, J, Afshar, S. | Deposit date: | 2019-09-30 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Integration of phage and yeast display platforms: A reliable and cost effective approach for binning of peptides as displayed on-phage. Plos One, 15, 2020
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6T7K
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![BU of 6t7k by Molmil](/molmil-images/mine/6t7k) | Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with NCP-26 and L-Proline | Descriptor: | 1,2-ETHANEDIOL, PROLINE, Proline--tRNA ligase, ... | Authors: | Johansson, C, Wang, J, Tye, M, Payne, N.C, Mazitschek, R, Thompson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | Deposit date: | 2019-10-22 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with NCP-26 and L-Proline To Be Published
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8TMT
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![BU of 8tmt by Molmil](/molmil-images/mine/8tmt) | Crystal structure of KPC-44 carbapenemase in complex with vaborbactam | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, LITHIUM ION, ... | Authors: | Sun, Z, Palzkill, T, Hu, L, Neetu, N, Lin, H, Sankaran, B, Wang, J, Prasad, B. | Deposit date: | 2023-07-30 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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8TN0
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![BU of 8tn0 by Molmil](/molmil-images/mine/8tn0) | Crystal structure of KPC-44 carbapenemase w/o cryoprotectant | Descriptor: | SULFATE ION, beta-lactamase | Authors: | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | Deposit date: | 2023-07-31 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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8TJM
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![BU of 8tjm by Molmil](/molmil-images/mine/8tjm) | Crystal structure of KPC-44 carbapenemase | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, beta-lactamase | Authors: | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | Deposit date: | 2023-07-23 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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8TMR
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![BU of 8tmr by Molmil](/molmil-images/mine/8tmr) | Crystal structure of KPC-44 carbapenemase complexed with avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | Authors: | Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B. | Deposit date: | 2023-07-30 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops. J.Biol.Chem., 300, 2023
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