6JSS
| Structure of Geobacillus kaustophilus lactonase, Y99P mutant | Descriptor: | FE (III) ION, HYDROXIDE ION, Phosphotriesterase, ... | Authors: | Xue, B, Yew, W.S. | Deposit date: | 2019-04-08 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Directed Computational Evolution of Quorum-Quenching Lactonases from the Amidohydrolase Superfamily. Structure, 28, 2020
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7CKF
| The N-terminus of interferon-inducible antiviral protein-dimer | Descriptor: | ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, Guanylate-binding protein 5, ... | Authors: | Cui, W, Yang, H.T. | Deposit date: | 2020-07-16 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.284 Å) | Cite: | Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins. Proc.Natl.Acad.Sci.USA, 118, 2021
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4C45
| Crystal structure of human pterin-4-alpha-carbinolamine dehydratase 2 (PCBD2) | Descriptor: | 1,2-ETHANEDIOL, PTERIN-4-ALPHA-CARBINOLAMINE DEHYDRATASE 2 | Authors: | Kopec, J, Kiyani, W, Vollmar, M, Shrestha, L, Canning, P, von Delft, F, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W.W. | Deposit date: | 2013-08-30 | Release date: | 2013-09-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structure of Human Pterin-4-Alpha- Carbinolamine Dehydratase 2 (Pcbd2) To be Published
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4CCZ
| Crystal structure of human 5-methyltetrahydrofolate-homocysteine methyltransferase, the homocysteine and folate binding domains | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, METHIONINE SYNTHASE | Authors: | Vollmar, M, Kiyani, W, Krojer, T, Goubin, S, Burgess-Brown, N, von Delft, F, Oppermann, U, Edwards, A, Arrowsmith, C, Bountra, C, Yue, W.W. | Deposit date: | 2013-10-29 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of Human 5-Methyltetrahydrofolate-Homocysteine Methyltransferase, the Homocysteine and Folate Binding Domains To be Published
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4MP0
| Structure of a second nuclear PP1 Holoenzyme, crystal form 2 | Descriptor: | GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Choy, M.S, Hieke, M, Peti, W, Page, R. | Deposit date: | 2013-09-12 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1003 Å) | Cite: | Understanding the antagonism of retinoblastoma protein dephosphorylation by PNUTS provides insights into the PP1 regulatory code. Proc.Natl.Acad.Sci.USA, 111, 2014
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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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4N7Z
| Crystal structure of human Plk4 cryptic polo box (CPB) in complex with a Cep192 N-terminal fragment | Descriptor: | Centrosomal protein of 192 kDa, Serine/threonine-protein kinase PLK4 | Authors: | Park, S.-Y, Park, J.-E, Tian, L, Kim, T.-S, Yang, W, Lee, K.S. | Deposit date: | 2013-10-16 | Release date: | 2014-07-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Molecular basis for unidirectional scaffold switching of human Plk4 in centriole biogenesis. Nat.Struct.Mol.Biol., 21, 2014
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4MV5
| IspH in complex with 6-chloropyridin-3-ylmethyl diphosphate | Descriptor: | (6-chloropyridin-3-yl)methyl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER | Authors: | Span, I, Wang, K, Song, Y, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | Deposit date: | 2013-09-23 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH. J.Am.Chem.Soc., 136, 2014
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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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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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4Q94
| human RPRD1B CID in complex with a RPB1-CTD derived Ser2 phosphorylated peptide | Descriptor: | Regulation of nuclear pre-mRNA domain-containing protein 1B, SULFATE ION, UNKNOWN ATOM OR ION, ... | Authors: | Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC) | Deposit date: | 2014-04-29 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation. Nat.Struct.Mol.Biol., 21, 2014
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4QE7
| Open MthK pore structure soaked in 10 mM Ba2+/100 mM Na+ | Descriptor: | BARIUM ION, Calcium-gated potassium channel MthK | Authors: | Guo, R, Zeng, W, Cui, H, Chen, L, Ye, S. | Deposit date: | 2014-05-15 | Release date: | 2014-07-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ionic interactions of Ba2+ blockades in the MthK K+ channel J.Gen.Physiol., 144, 2014
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4PZ1
| Crystal structure of a sHIP (UniProt Id: Q99XU0) mutant from Streptococcus pyogenes | Descriptor: | CALCIUM ION, CHLORIDE ION, sHIP | Authors: | Wisniewska, M, Happonen, L, Frick, I.-M, Bjorck, L, Streicher, W, Malmstrom, J, Wikstrom, M. | Deposit date: | 2014-03-28 | Release date: | 2015-03-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Functional and structural properties of a novel protein and virulence factor (Protein sHIP) in Streptococcus pyogenes. J.Biol.Chem., 289, 2014
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4Q0N
| Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand | Descriptor: | (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one, 1,2-ETHANEDIOL, Protein polybromo-1 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Monteiro, O, Fedorov, O, Chaikuad, A, Yue, W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-04-02 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand To be Published
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4B7K
| FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH CONSENSUS ANKYRIN REPEAT DOMAIN-SER PEPTIDE (20-MER) | Descriptor: | CONSENSUS ANKYRIN REPEAT DOMAIN-SER, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N-OXALYLGLYCINE, ... | Authors: | Chowdhury, R, Ge, W, Schofield, C.J. | Deposit date: | 2012-08-20 | Release date: | 2013-01-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Substrate selectivity analyses of factor inhibiting hypoxia-inducible factor. Angew. Chem. Int. Ed. Engl., 52, 2013
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4BCY
| Monomeric Human Cu,Zn Superoxide dismutase, mutation H43F | Descriptor: | CADMIUM ION, CHLORIDE ION, COPPER (II) ION, ... | Authors: | Awad, W, Saraboji, K, Danielsson, J, Lang, L, Kurnik, M, Marklund, S.L, Oliveberg, M, Logan, D.T. | Deposit date: | 2012-10-03 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.272 Å) | Cite: | Global Structural Motions from the Strain of a Single Hydrogen Bond. Proc.Natl.Acad.Sci.USA, 110, 2013
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7ESC
| FmnB complexed with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION | Authors: | Cheng, W, Zheng, Y.H. | Deposit date: | 2021-05-10 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes. MedComm (2020), 3, 2022
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7ESA
| the complex structure of flavin transferase FmnB complexed with FAD | Descriptor: | FAD:protein FMN transferase, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION | Authors: | Zheng, Y.H, Cheng, W. | Deposit date: | 2021-05-09 | Release date: | 2021-11-03 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes. MedComm (2020), 3, 2022
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4BBA
| Crystal structure of glucokinase regulatory protein complexed to phosphate | Descriptor: | GLUCOKINASE REGULATORY PROTEIN, PHOSPHATE ION | Authors: | Pautsch, A, Stadler, N, Loehle, A, Lenter, M, Rist, W, Berg, A, Glocker, L, Nar, H, Reinhart, D, Heckel, A, Schnapp, G, Kauschke, S.G. | Deposit date: | 2012-09-21 | Release date: | 2013-05-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal Structure of Glucokinase Regulatory Protein. Biochemistry, 52, 2013
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7ESB
| FmnB complexed with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION | Authors: | Zheng, Y.H, Cheng, W. | Deposit date: | 2021-05-09 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes. MedComm (2020), 3, 2022
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4N9B
| Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhai, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | Deposit date: | 2013-10-20 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.859 Å) | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 24, 2014
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4N9Y
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7F39
| The structure of flavin transferase FmnB | Descriptor: | FAD:protein FMN transferase | Authors: | Cheng, W, Zheng, Y.H. | Deposit date: | 2021-06-15 | Release date: | 2021-11-03 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.888 Å) | Cite: | Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes. MedComm (2020), 3, 2022
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7F2U
| FmnB complexed with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION | Authors: | Cheng, W, Zheng, Y.H. | Deposit date: | 2021-06-14 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.984 Å) | Cite: | Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes. MedComm (2020), 3, 2022
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4NA0
| Crystal structure of mouse poly(ADP-ribose) glycohydrolase (PARG) catalytic domain with ADPRibose | Descriptor: | IODIDE ION, Poly(ADP-ribose) glycohydrolase, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Wang, Z, Cheng, Z, Xu, W. | Deposit date: | 2013-10-21 | Release date: | 2014-01-29 | Last modified: | 2014-09-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystallographic and biochemical analysis of the mouse poly(ADP-ribose) glycohydrolase. Plos One, 9, 2014
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