4N9L
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![BU of 4n9l by Molmil](/molmil-images/mine/4n9l) | crystal structure of beta-lactamse PenP_E166S in complex with meropenem | Descriptor: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase | Authors: | Pan, X, Wong, W, Zhao, Y. | Deposit date: | 2013-10-21 | Release date: | 2014-09-10 | Last modified: | 2022-02-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation Biochemistry, 53, 2014
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4RM5
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![BU of 4rm5 by Molmil](/molmil-images/mine/4rm5) | Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins | Descriptor: | Beta-lactamase NDM-1, ZINC ION | Authors: | Feng, H, Ding, J, Zhu, D, Liu, X, Xu, X, Zhang, Y, Zang, S, Wang, D.-C, Liu, W. | Deposit date: | 2014-10-19 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins. J.Am.Chem.Soc., 136, 2014
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1RSO
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![BU of 1rso by Molmil](/molmil-images/mine/1rso) | Hetero-tetrameric L27 (Lin-2, Lin-7) domain complexes as organization platforms of supra-molecular assemblies | Descriptor: | Peripheral plasma membrane protein CASK, Presynaptic protein SAP97 | Authors: | Feng, W, Long, J.-F, Fan, J.-S, Suetake, T, Zhang, M. | Deposit date: | 2003-12-09 | Release date: | 2004-05-04 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The tetrameric L27 domain complex as an organization platform for supramolecular assemblies NAT.STRUCT.MOL.BIOL., 11, 2004
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4RXR
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![BU of 4rxr by Molmil](/molmil-images/mine/4rxr) | The structure of GTP-dCTP-bound SAMHD1 | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Zhu, C.F, Wei, W, Peng, X, Dong, Y.H, Gong, Y, Yu, X.F. | Deposit date: | 2014-12-11 | Release date: | 2015-03-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.117 Å) | Cite: | The mechanism of substrate-controlled allosteric regulation of SAMHD1 activated by GTP. Acta Crystallogr.,Sect.D, 71, 2015
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2PM1
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![BU of 2pm1 by Molmil](/molmil-images/mine/2pm1) | |
2PMB
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![BU of 2pmb by Molmil](/molmil-images/mine/2pmb) | Crystal structure of predicted nucleotide-binding protein from Vibrio cholerae | Descriptor: | GLYCEROL, PHOSPHATE ION, Uncharacterized protein | Authors: | Patskovsky, Y, Zhan, C, Shi, W, Toro, R, Sauder, J.M, Gilmore, J, Iizuka, M, Maletic, M, Gheyi, T, Wasserman, S.R, Smith, D, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-04-20 | Release date: | 2007-05-08 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal Structure of Predicted Nucleotide-Binding Protein from Vibrio Cholerae. To be Published
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4RXS
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![BU of 4rxs by Molmil](/molmil-images/mine/4rxs) | The structure of GTP-dTTP-bound SAMHD1 | Descriptor: | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zhu, C.F, Wei, W, Peng, X, Dong, Y.H, Gong, Y, Yu, X.F. | Deposit date: | 2014-12-11 | Release date: | 2015-03-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The mechanism of substrate-controlled allosteric regulation of SAMHD1 activated by GTP. Acta Crystallogr.,Sect.D, 71, 2015
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2Q2R
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![BU of 2q2r by Molmil](/molmil-images/mine/2q2r) | Trypanosoma cruzi glucokinase in complex with beta-D-glucose and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Glucokinase 1, putative, ... | Authors: | Cordeiro, A.T, Caceres, A.J, Vertommen, D, Concepcion, J.L, Michels, P.A, Versees, W. | Deposit date: | 2007-05-29 | Release date: | 2007-10-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Crystal Structure of Trypanosoma cruzi Glucokinase Reveals Features Determining Oligomerization and Anomer Specificity of Hexose-phosphorylating Enzymes. J.Mol.Biol., 372, 2007
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4TK5
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![BU of 4tk5 by Molmil](/molmil-images/mine/4tk5) | Crystal Structure of human Tankyrase 2 in complex with EB47. | Descriptor: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Tankyrase-2, ZINC ION | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-25 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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1RW2
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![BU of 1rw2 by Molmil](/molmil-images/mine/1rw2) | Three-dimensional structure of Ku80 CTD | Descriptor: | ATP-dependent DNA helicase II, 80 kDa subunit | Authors: | Zhang, Z, Hu, W, Cano, L, Lee, T.D, Chen, D.J, Chen, Y. | Deposit date: | 2003-12-15 | Release date: | 2003-12-30 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the C-terminal domain of Ku80 suggests important sites for protein-protein interactions. STRUCTURE, 12, 2004
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4TNX
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![BU of 4tnx by Molmil](/molmil-images/mine/4tnx) | Structure basis of cellular dNTP regulation, SAMHD1-GTP-dGTP complex | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y. | Deposit date: | 2014-06-05 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural basis of cellular dNTP regulation by SAMHD1. Proc.Natl.Acad.Sci.USA, 111, 2014
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1RM8
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![BU of 1rm8 by Molmil](/molmil-images/mine/1rm8) | Crystal structure of the catalytic domain of MMP-16/MT3-MMP: Characterization of MT-MMP specific features | Descriptor: | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, CALCIUM ION, Matrix metalloproteinase-16, ... | Authors: | Lang, R, Braun, M, Sounni, N.E, Noel, A, Frankenne, F, Foidart, J.-M, Bode, W, Maskos, K. | Deposit date: | 2003-11-27 | Release date: | 2004-03-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the catalytic domain of MMP-16/MT3-MMP: characterization of MT-MMP specific features. J.Mol.Biol., 336, 2004
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1R4A
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![BU of 1r4a by Molmil](/molmil-images/mine/1r4a) | Crystal Structure of GTP-bound ADP-ribosylation Factor Like Protein 1 (Arl1) and GRIP Domain of Golgin245 COMPLEX | Descriptor: | ADP-ribosylation factor-like protein 1, Golgi autoantigen, golgin subfamily A member 4, ... | Authors: | Wu, M, Lu, L, Hong, W, Song, H. | Deposit date: | 2003-10-04 | Release date: | 2004-01-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for recruitment of GRIP domain golgin-245 by small GTPase Arl1. Nat.Struct.Mol.Biol., 11, 2004
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3T2C
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![BU of 3t2c by Molmil](/molmil-images/mine/3t2c) | Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, DHAP-bound form | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION | Authors: | Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O. | Deposit date: | 2011-07-22 | Release date: | 2011-10-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase. Nature, 478, 2011
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2PK9
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![BU of 2pk9 by Molmil](/molmil-images/mine/2pk9) | Structure of the Pho85-Pho80 CDK-cyclin Complex of the Phosphate-responsive Signal Transduction Pathway | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cyclin-dependent protein kinase PHO85, PHO85 cyclin PHO80 | Authors: | Huang, K, Ferrin-O'Connell, I, Zhang, W, Leonard, G.A, O'Shea, E.K, Quiocho, F.A. | Deposit date: | 2007-04-17 | Release date: | 2007-12-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.906 Å) | Cite: | Structure of the Pho85-Pho80 CDK-Cyclin Complex of the Phosphate-Responsive Signal Transduction Pathway Mol.Cell, 28, 2007
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3OUF
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![BU of 3ouf by Molmil](/molmil-images/mine/3ouf) | Structure of a K+ selective NaK mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein | Authors: | Derebe, M.G, Sauer, D.B, Zeng, W, Alam, A, Shi, N, Jiang, Y. | Deposit date: | 2010-09-14 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Tuning the ion selectivity of tetrameric cation channels by changing the number of ion binding sites. Proc.Natl.Acad.Sci.USA, 108, 2011
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3T2F
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![BU of 3t2f by Molmil](/molmil-images/mine/3t2f) | Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, soaked with EDTA and DHAP | Descriptor: | Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION | Authors: | Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O. | Deposit date: | 2011-07-22 | Release date: | 2011-10-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase. Nature, 478, 2011
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5V5S
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![BU of 5v5s by Molmil](/molmil-images/mine/5v5s) | multi-drug efflux; membrane transport; RND superfamily; Drug resistance | Descriptor: | Multidrug efflux pump subunit AcrA, Multidrug efflux pump subunit AcrB, Outer membrane protein TolC | Authors: | wang, Z, fan, G, Hryc, C.F, Blaza, J.N, Serysheva, I.I, Schmid, M.F, Chiu, W, Luisi, B.F, Du, D. | Deposit date: | 2017-03-15 | Release date: | 2017-04-19 | Last modified: | 2019-10-23 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | An allosteric transport mechanism for the AcrAB-TolC Multidrug Efflux Pump. Elife, 6, 2017
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1RFN
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![BU of 1rfn by Molmil](/molmil-images/mine/1rfn) | HUMAN COAGULATION FACTOR IXA IN COMPLEX WITH P-AMINO BENZAMIDINE | Descriptor: | CALCIUM ION, P-AMINO BENZAMIDINE, PROTEIN (COAGULATION FACTOR IX), ... | Authors: | Hopfner, K.-P, Lang, A, Karcher, A, Sichler, K, Kopetzki, E, Brandstetter, H, Huber, R, Bode, W, Engh, R.A. | Deposit date: | 1999-04-19 | Release date: | 1999-09-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Coagulation factor IXa: the relaxed conformation of Tyr99 blocks substrate binding. Structure Fold.Des., 7, 1999
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2NU2
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![BU of 2nu2 by Molmil](/molmil-images/mine/2nu2) | Accommodation of positively-charged residues in a hydrophobic specificity pocket: Crystal structures of SGPB in complex with OMTKY3 variants Lys18I and Arg18I | Descriptor: | Ovomucoid, Streptogrisin B, Protease B | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | Deposit date: | 2006-11-08 | Release date: | 2006-11-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Accommodation of positively-charged residues in a hydrophobic specificity pocket: Crystal structures of SGPB in complex with OMTKY3 variants Lys18I and Arg18I To be Published
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1R5Q
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![BU of 1r5q by Molmil](/molmil-images/mine/1r5q) | |
3P1J
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![BU of 3p1j by Molmil](/molmil-images/mine/3p1j) | Crystal structure of human GTPase IMAP family member 2 in the nucleotide-free state | Descriptor: | GTPase IMAP family member 2, UNKNOWN ATOM OR ION | Authors: | Shen, L, Tempel, W, Tong, Y, Guan, X, Nedyalkova, L, Wernimont, A.K, Mackenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Andrews, D.W, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-09-30 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Crystal structure of human GTPase IMAP family member 2 in the nucleotide-free state to be published
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1R78
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![BU of 1r78 by Molmil](/molmil-images/mine/1r78) | CDK2 complex with a 4-alkynyl oxindole inhibitor | Descriptor: | 4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-HEX-1-YNYL)-5-FLUORO-3-[1-(3-METHOXY-1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE, Cell division protein kinase 2 | Authors: | Luk, K.-C, Simcox, M.E, Schutt, A, Rowan, K, Thompson, T, Chen, Y, Kammlott, U, DePinto, W, Dunten, P, Dermatakis, A. | Deposit date: | 2003-10-20 | Release date: | 2004-01-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A new series of potent oxindole inhibitors of CDK2 Bioorg.Med.Chem.Lett., 14, 2004
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3P1W
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![BU of 3p1w by Molmil](/molmil-images/mine/3p1w) | Crystal Structure of RAB GDI from Plasmodium Falciparum, PFL2060c | Descriptor: | RabGDI protein | Authors: | Wernimont, A.K, Neculai, A.M, Weadge, J, MacKenzie, F, Cossar, D, Tempel, W, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Langsley, G, Bosch, J, Hui, R, Pizzaro, J.C, Hutchinson, A, Structural Genomics Consortium (SGC) | Deposit date: | 2010-09-30 | Release date: | 2010-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of RAB GDI from Plasmodium Falciparum, PFL2060c To be published
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2O9Q
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![BU of 2o9q by Molmil](/molmil-images/mine/2o9q) | The crystal structure of Bovine Trypsin complexed with a small inhibition peptide ORB2K | Descriptor: | CALCIUM ION, Cationic trypsin, ORB2K, ... | Authors: | Li, J, Zhang, C, Xu, X, Wang, J, Gong, W, Lai, R. | Deposit date: | 2006-12-14 | Release date: | 2007-12-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | From protease inhibitor to antibiotics: single point mutation makes tremendous functional shift To be Published
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