1CHK
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8Q8K
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![BU of 8q8k by Molmil](/molmil-images/mine/8q8k) | KI Polyomavirus LTA NLS bound to importin alpha 2 | Descriptor: | Importin subunit alpha-1, Large T antigen | Authors: | Cross, E.M, Forwood, J.K, Alvisi, G. | Deposit date: | 2023-08-18 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A functional and structural comparative analysis of large tumor antigens reveals evolution of different importin alpha-dependent nuclear localization signals. Protein Sci., 33, 2024
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6Q48
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![BU of 6q48 by Molmil](/molmil-images/mine/6q48) | CDK2 in complex with FragLite7 | Descriptor: | 4-iodanyl-3~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4H
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![BU of 6q4h by Molmil](/molmil-images/mine/6q4h) | CDK2 in complex with FragLite36 | Descriptor: | 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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3ORS
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![BU of 3ors by Molmil](/molmil-images/mine/3ors) | Crystal Structure of N5-Carboxyaminoimidazole Ribonucleotide Mutase from Staphylococcus aureus | Descriptor: | N5-Carboxyaminoimidazole Ribonucleotide Mutase, SULFATE ION | Authors: | Brugarolas, P, Duguid, E.M, Zhang, W, Poor, C.B, He, C. | Deposit date: | 2010-09-07 | Release date: | 2011-07-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and biochemical characterization of N5-carboxyaminoimidazole ribonucleotide synthetase and N5-carboxyaminoimidazole ribonucleotide mutase from Staphylococcus aureus. Acta Crystallogr.,Sect.D, 67, 2011
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1A8Z
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![BU of 1a8z by Molmil](/molmil-images/mine/1a8z) | STRUCTURE DETERMINATION OF A 16.8KDA COPPER PROTEIN RUSTICYANIN AT 2.1A RESOLUTION USING ANOMALOUS SCATTERING DATA WITH DIRECT METHODS | Descriptor: | COPPER (I) ION, RUSTICYANIN | Authors: | Harvey, I, Hao, Q, Duke, E.M.H, Ingledew, W.J, Hasnain, S.S. | Deposit date: | 1998-03-30 | Release date: | 1998-06-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure determination of a 16.8 kDa copper protein at 2.1 A resolution using anomalous scattering data with direct methods. Acta Crystallogr.,Sect.D, 54, 1998
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3OXH
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![BU of 3oxh by Molmil](/molmil-images/mine/3oxh) | Mycobacterium tuberculosis kinase inhibitor homolog RV0577 | Descriptor: | CHLORIDE ION, PARA-MERCURY-BENZENESULFONIC ACID, RV0577 PROTEIN, ... | Authors: | Echols, N, Flynn, E.M, Stephenson, S, Ng, H.-L, Alber, T, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2010-09-21 | Release date: | 2011-10-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and Biophysical Characterization of the Mycobacterium tuberculosis Protein Rv0577, a Protein Associated with Neutral Red Staining of Virulent Tuberculosis Strains and Homologue of the Streptomyces coelicolor Protein KbpA. Biochemistry, 2017
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3P4B
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![BU of 3p4b by Molmil](/molmil-images/mine/3p4b) | Alternatingly modified 2'Fluoro RNA octamer f/rA2U2-P3 | Descriptor: | 5'-R(*(CFZ)P*GP*(AF2)P*AP*(UFT)P*UP*(CFZ)P*G)-3', BARIUM ION | Authors: | Pallan, P.S, Greene, E.M, Jicman, P.A, Pandey, R.K, Manoharan, M, Rozners, E, Egli, M. | Deposit date: | 2010-10-06 | Release date: | 2011-01-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Unexpected origins of the enhanced pairing affinity of 2'-fluoro-modified RNA. Nucleic Acids Res., 39, 2011
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4H23
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![BU of 4h23 by Molmil](/molmil-images/mine/4h23) | Cytochrome P411BM3-CIS cyclopropanation catalyst | Descriptor: | Cytochrome P450-BM3 variant P411BM3-Cis, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Coelho, P.S, Wang, Z.J, Ener, M.E, Baril, S.A, Kannan, A, Arnold, F.H, Brustad, E.M. | Deposit date: | 2012-09-11 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A serine-substituted P450 catalyzes highly efficient carbene transfer to olefins in vivo. Nat.Chem.Biol., 9, 2013
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1B39
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![BU of 1b39 by Molmil](/molmil-images/mine/1b39) | HUMAN CYCLIN-DEPENDENT KINASE 2 PHOSPHORYLATED ON THR 160 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROTEIN (CELL DIVISION PROTEIN KINASE 2) | Authors: | Brown, N.R, Noble, M.E.M, Lawrie, A.M, Morris, M.C, Tunnah, P, Divita, G, Johnson, L.N, Endicott, J.A. | Deposit date: | 1998-12-17 | Release date: | 1998-12-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Effects of phosphorylation of threonine 160 on cyclin-dependent kinase 2 structure and activity. J.Biol.Chem., 274, 1999
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4INR
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![BU of 4inr by Molmil](/molmil-images/mine/4inr) | Yeast 20S proteasome in complex with the vinyl sulfone LU102 | Descriptor: | N3Phe-Leu-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ... | Authors: | Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F. | Deposit date: | 2013-01-06 | Release date: | 2013-01-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites. J.Med.Chem., 56, 2013
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4INT
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![BU of 4int by Molmil](/molmil-images/mine/4int) | Yeast 20S proteasome in complex with the vinyl sulfone LU122 | Descriptor: | HMB-Val-Ser-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ... | Authors: | Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F. | Deposit date: | 2013-01-06 | Release date: | 2013-01-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites. J.Med.Chem., 56, 2013
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3MI3
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![BU of 3mi3 by Molmil](/molmil-images/mine/3mi3) | Homocitrate Synthase Lys4 bound to Lysine | Descriptor: | Homocitrate synthase, mitochondrial, LYSINE, ... | Authors: | Bulfer, S.L, Scott, E.M, Pillus, L, Trievel, R.C. | Deposit date: | 2010-04-09 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structural Basis for L-lysine Feedback Inhibition of Homocitrate Synthase J.Biol.Chem., 285, 2010
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4INU
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![BU of 4inu by Molmil](/molmil-images/mine/4inu) | Yeast 20S proteasome in complex with the vinyl sulfone LU112 | Descriptor: | N3Phe-Phe(4-NH2CH2)-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ... | Authors: | Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F. | Deposit date: | 2013-01-06 | Release date: | 2013-01-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites. J.Med.Chem., 56, 2013
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6Q4C
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![BU of 6q4c by Molmil](/molmil-images/mine/6q4c) | CDK2 in complex with FragLite16 | Descriptor: | 4-bromanyl-1,8-naphthyridine, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4F
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![BU of 6q4f by Molmil](/molmil-images/mine/6q4f) | CDK2 in complex with FragLite32 | Descriptor: | Cyclin-dependent kinase 2, PYRIDINE-2,6-DIAMINE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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4H24
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![BU of 4h24 by Molmil](/molmil-images/mine/4h24) | Cytochrome P450BM3-CIS cyclopropanation catalyst | Descriptor: | Cytochrome P450-BM3 variant P450BM3-Cis, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Coelho, P.S, Wang, Z.J, Ener, M.E, Baril, S.A, Kannan, A, Arnold, F.H, Brustad, E.M. | Deposit date: | 2012-09-11 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A serine-substituted P450 catalyzes highly efficient carbene transfer to olefins in vivo. Nat.Chem.Biol., 9, 2013
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6Q4A
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![BU of 6q4a by Molmil](/molmil-images/mine/6q4a) | CDK2 in complex with FragLite14 | Descriptor: | 5-iodanylpyrimidine, CYCLIN-DEPENDENT KINASE 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4I
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![BU of 6q4i by Molmil](/molmil-images/mine/6q4i) | CDK2 in complex with FragLite35 | Descriptor: | 2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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8QKS
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![BU of 8qks by Molmil](/molmil-images/mine/8qks) | Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to R5.034 | Descriptor: | Immunoglobulin lambda variable 1-36, R5034HV, Reticulocyte-binding protein-like protein 5 | Authors: | Wright, N.D, Barrett, J.R, Bradshaw, W.J, Paterson, N.G, MacLean, E.M, Ferreira, L, McHugh, K, Von Delft, F, Koekemoer, L, Draper, S.J. | Deposit date: | 2023-09-16 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (3.994 Å) | Cite: | Analysis of the Diverse Antigenic Landscape of the Malaria Invasion Protein RH5 Identifies a Potent Vaccine-Induced Human Public Antibody Clonotype To Be Published
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4HFZ
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![BU of 4hfz by Molmil](/molmil-images/mine/4hfz) | Crystal Structure of an MDM2/P53 Peptide Complex | Descriptor: | Cellular tumor antigen p53, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Anil, B, Riedinger, C, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-05 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.694 Å) | Cite: | The structure of an MDM2-Nutlin-3a complex solved by the use of a validated MDM2 surface-entropy reduction mutant. Acta Crystallogr.,Sect.D, 69, 2013
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8QKR
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![BU of 8qkr by Molmil](/molmil-images/mine/8qkr) | Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to R5.251 | Descriptor: | R5251VHCH, R5251VLCL, Reticulocyte-binding protein-like protein 5 | Authors: | Wright, N.D, Barrett, J.R, Bradshaw, W.J, Paterson, N.G, MacLean, E.M, Ferreira, L, McHugh, K, Koekemoer, L, Draper, S.J. | Deposit date: | 2023-09-16 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (3.234 Å) | Cite: | Analysis of the Diverse Antigenic Landscape of the Malaria Invasion Protein RH5 Identifies a Potent Vaccine-Induced Human Public Antibody Clonotype. To Be Published
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8SDW
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![BU of 8sdw by Molmil](/molmil-images/mine/8sdw) | Crystal structure of the non-myristoylated mutant [L8K]Arf1 in complex with a GDP analogue | Descriptor: | ADP-ribosylation factor 1, GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Rosenberg Jr, E.M, Randazzo, P.A, Esser, L, Xia, D. | Deposit date: | 2023-04-07 | Release date: | 2023-06-28 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Point mutations in Arf1 reveal cooperative effects of the N-terminal extension and myristate for GTPase-activating protein catalytic activity. Plos One, 19, 2024
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3ORQ
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![BU of 3orq by Molmil](/molmil-images/mine/3orq) | Crystal Structure of N5-Carboxyaminoimidazole synthetase from Staphylococcus aureus complexed with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Brugarolas, P, Duguid, E.M, Zhang, W, Poor, C.B, He, C. | Deposit date: | 2010-09-07 | Release date: | 2011-07-20 | Last modified: | 2012-03-28 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structural and biochemical characterization of N5-carboxyaminoimidazole ribonucleotide synthetase and N5-carboxyaminoimidazole ribonucleotide mutase from Staphylococcus aureus. Acta Crystallogr.,Sect.D, 67, 2011
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8Q4L
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![BU of 8q4l by Molmil](/molmil-images/mine/8q4l) | GBP1 bound by 14-3-3sigma | Descriptor: | 14-3-3 protein sigma, Guanylate-binding protein 1 | Authors: | Pfleiderer, M.M, Liu, X, Fisch, D, Anastasakou, E, Frickel, E.M, Galej, W.P. | Deposit date: | 2023-08-07 | Release date: | 2023-10-11 | Last modified: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (5.12 Å) | Cite: | PIM1 controls GBP1 activity to limit self-damage and to guard against pathogen infection. Science, 382, 2023
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