2R3O
 
 | | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | | Descriptor: | (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol, Cell division protein kinase 2 | | Authors: | Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. | | Deposit date: | 2007-08-29 | | Release date: | 2008-01-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
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3UI0
 | | HBI (T72G) deoxy | | Descriptor: | Globin-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | | Deposit date: | 2011-11-03 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4OAZ
 | | BldD CTD-c-di-GMP complex | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Putative DNA-binding protein | | Authors: | Schumacher, M.A, Tschowri, N, Buttner, M, Brennan, R.G. | | Deposit date: | 2014-01-06 | | Release date: | 2014-11-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Tetrameric c-di-GMP mediates effective transcription factor dimerization to control Streptomyces development.
Cell(Cambridge,Mass.), 158, 2014
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3UII
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3UO5
 | | Aurora A in complex with YL1-038-31 | | Descriptor: | 4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid, Serine/Threonine-Protein Kinase 6 | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-11-16 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7012 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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3UOD
 | | Aurora A in complex with RPM1693 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid, Aurora kinase A, ... | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-11-16 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5002 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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3UJ9
 | | Phosphoethanolamine methyltransferase from Plasmodium falciparum in complex with phosphocholine | | Descriptor: | PHOSPHOCHOLINE, Phosphoethanolamine N-methyltransferase | | Authors: | Lee, S.G, Kim, Y, Alpert, T.D, Nagata, A, Jez, J.M. | | Deposit date: | 2011-11-07 | | Release date: | 2011-11-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Structure and reaction mechanism of phosphoethanolamine methyltransferase from the malaria parasite Plasmodium falciparum: an antiparasitic drug target.
J.Biol.Chem., 287, 2012
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3UOF
 | | Mycobacterium tuberculosis bacterioferritin, BfrA | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bacterioferritin, FE (III) ION, ... | | Authors: | McMath, L.M, Goulding, C.W, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2011-11-16 | | Release date: | 2012-11-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | Mycobacterium tuberculosis bacterioferritin, BfrA
To be Published
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4OBS
 | | Crystal structure of human alpha-L-iduronidase in the P212121 form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, CHLORIDE ION, ... | | Authors: | Bie, H, Yin, J, He, X, Kermode, A.R, James, M.N.G. | | Deposit date: | 2014-01-07 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal structure of human alpha-L-iduronidase in the P212121 form
To be Published
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4OMX
 | | Crystal structure of goat beta-lactoglobulin (trigonal form) | | Descriptor: | FORMAMIDE, SULFATE ION, UREA, ... | | Authors: | Loch, J.I, Swiatek, S, Czub, M, Ludwikowska, M, Lewinski, K. | | Deposit date: | 2014-01-27 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conformational variability of goat beta-lactoglobulin: Crystallographic and thermodynamic studies.
Int.J.Biol.Macromol., 72C, 2014
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4OC6
 | | Structure of Cathepsin D with inhibitor 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide, Cathepsin D heavy chain, ... | | Authors: | Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B. | | Deposit date: | 2014-01-08 | | Release date: | 2014-08-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structure-based optimization of non-peptidic Cathepsin D inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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3UOM
 | | Ca2+ complex of Human skeletal calsequestrin | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | | Authors: | Sanchez, E.J, Lewis, K.M, Danna, B.R, Nissen, M.S, Kang, C.H. | | Deposit date: | 2011-11-16 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | High-capacity Ca2+ Binding of Human Skeletal Calsequestrin.
J.Biol.Chem., 287, 2012
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3UK8
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4OCE
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4GKO
 | | Crystal structure of the calcium2+-bound human IgE-Fc(epsilon)3-4 bound to its B cell receptor derCD23 | | Descriptor: | CALCIUM ION, Ig epsilon chain C region, Low affinity immunoglobulin epsilon Fc receptor, ... | | Authors: | Yuan, D, Sutton, B.J, Dhaliwal, B. | | Deposit date: | 2012-08-13 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Ca2+-dependent Structural Changes in the B-cell Receptor CD23 Increase Its Affinity for Human Immunoglobulin E.
J.Biol.Chem., 288, 2013
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3UL0
 | | Mouse importin alpha: mouse CBP80Y8D cNLS complex | | Descriptor: | Importin subunit alpha-2, Nuclear cap-binding protein subunit 1 | | Authors: | Marfori, M, Forwood, J.K, Lonhienne, T.G, Kobe, B. | | Deposit date: | 2011-11-10 | | Release date: | 2012-10-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis of High-Affinity Nuclear Localization Signal Interactions with Importin-alpha
Traffic, 13, 2012
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4ONJ
 | | Crystal structure of the catalytic domain of ntDRM | | Descriptor: | DNA methyltransferase, SINEFUNGIN | | Authors: | Du, J, Patel, D.J. | | Deposit date: | 2014-01-28 | | Release date: | 2014-06-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.807 Å) | | Cite: | Molecular Mechanism of Action of Plant DRM De Novo DNA Methyltransferases.
Cell(Cambridge,Mass.), 157, 2014
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2R6S
 | | Crystal structure of Gab protein | | Descriptor: | BICINE, FE (II) ION, GLYCEROL, ... | | Authors: | Lohkamp, B, Dobritzsch, D. | | Deposit date: | 2007-09-06 | | Release date: | 2008-06-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A mixture of fortunes: the curious determination of the structure of Escherichia coli BL21 Gab protein.
Acta Crystallogr.,Sect.D, 64, 2008
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4OCO
 | | N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc-1-phosphate | | Descriptor: | 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase | | Authors: | Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J. | | Deposit date: | 2014-01-09 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes.
Acta Crystallogr.,Sect.D, 70, 2014
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3UPI
 | | Synthesis of novel 4,5-dihydrofurano indoles and their evaluation as HCV NS5B polymerase inhibitors | | Descriptor: | (3S)-6-(2,5-difluorobenzyl)-3-methyl-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase | | Authors: | Velazquez, F, Venkataraman, S, Lesburg, C.A, Duca, J.S, Rosenblum, S.B, Kozlowski, J.A, Njoroge, F.G. | | Deposit date: | 2011-11-18 | | Release date: | 2012-01-25 | | Last modified: | 2012-02-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synthesis of New 4,5-Dihydrofuranoindoles and Their Evaluation as HCV NS5B Polymerase Inhibitors.
Org.Lett., 14, 2012
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4OO4
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4OCW
 | | Crystal structure of human Fab CAP256-VRC26.06, a potent V1V2-directed HIV-1 neutralizing antibody | | Descriptor: | CAP256-VRC26.06 heavy chain, CAP256-VRC26.06 light chain | | Authors: | Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D. | | Deposit date: | 2014-01-09 | | Release date: | 2014-02-26 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
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3ULA
 | | Crystal structure of the TV3 mutant F63W-MD-2-Eritoran complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE, Lymphocyte antigen 96, ... | | Authors: | Kim, H.J, Cheong, H.K, Jeon, Y.H. | | Deposit date: | 2011-11-10 | | Release date: | 2012-04-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structure-Based Rational Design of a Toll-like Receptor 4 (TLR4) Decoy Receptor with High Binding Affinity for a Target Protein.
Plos One, 7, 2012
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4OOF
 | | M. tuberculosis 1-deoxy-d-xylulose-5-phosphate reductoisomerase W203F mutant bound to fosmidomycin and NADPH | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ... | | Authors: | Allen, C.L, Kholodar, S.A, Murkin, A.S, Gulick, A.M. | | Deposit date: | 2014-01-31 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Alteration of the Flexible Loop in 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase Boosts Enthalpy-Driven Inhibition by Fosmidomycin.
Biochemistry, 53, 2014
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4ODB
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