4RL9
 
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3E05
 | | CRYSTAL STRUCTURE OF Precorrin-6y C5,15-methyltransferase FROM Geobacter metallireducens GS-15 | | Descriptor: | CHLORIDE ION, GLYCEROL, Precorrin-6Y C5,15-methyltransferase (Decarboxylating) | | Authors: | Patskovsky, Y, Ramagopal, U.A, Toro, R, Dickey, M, Hu, S, Maletic, M, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-07-30 | | Release date: | 2008-08-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | CRYSTAL STRUCTURE OF Precorrin-6y C5,15-methyltransferase from Geobacter metallireducens
To be Published
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4WG2
 | | P411BM3-CIS T438S I263F regioselective C-H amination catalyst | | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Hyster, T.K, Farwell, C.C, Buller, A.R, McIntosh, J.A, Arnold, F.H. | | Deposit date: | 2014-09-17 | | Release date: | 2014-11-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Enzyme-controlled nitrogen-atom transfer enables regiodivergent C-h amination.
J.Am.Chem.Soc., 136, 2014
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8FL2
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7KJD
 | | F96M epi-isozizaene synthase: complex with 3 Mg2+ and risedronate | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Ronnebaum, T.A, Gardner, S.M, Christianson, D.W. | | Deposit date: | 2020-10-26 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
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4IT5
 | | Chaperone HscB from Vibrio cholerae | | Descriptor: | CALCIUM ION, Co-chaperone protein HscB homolog | | Authors: | Osipiuk, J, Gu, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-01-17 | | Release date: | 2013-01-30 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.152 Å) | | Cite: | Chaperone HscB from Vibrio cholerae.
To be Published
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8B2T
 | | SARS-CoV-2 Main Protease (Mpro) in complex with nirmatrelvir alkyne | | Descriptor: | 3C-like proteinase nsp5, Nirmatrelvir (reacted form) | | Authors: | Owen, C.D, Crawshaw, A.D, Warren, A.J, Trincao, J, Zhao, Y, Brewitz, L, Malla, T.R, Salah, E, Petra, L, Strain-Damerell, C, Schofield, C.J, Walsh, M.A. | | Deposit date: | 2022-09-14 | | Release date: | 2023-02-22 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.893 Å) | | Cite: | Alkyne Derivatives of SARS-CoV-2 Main Protease Inhibitors Including Nirmatrelvir Inhibit by Reacting Covalently with the Nucleophilic Cysteine.
J.Med.Chem., 66, 2023
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5AF6
 | | Structure of Lys33-linked diUb bound to Trabid NZF1 | | Descriptor: | TRABID, UBIQUITIN, ZINC ION | | Authors: | Michel, M.A, Elliott, P.R, Swatek, K.N, Simicek, M, Pruneda, J.N, Wagstaff, J.L, Freund, S.M.V, Komander, D. | | Deposit date: | 2015-01-19 | | Release date: | 2015-03-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Assembly and Specific Recognition of K29- and K33-Linked Polyubiquitin.
Mol.Cell, 58, 2015
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6H47
 | | Human KRAS in complex with darpin K19 | | Descriptor: | GTPase KRas, SULFATE ION, darpin K19 | | Authors: | Debreczeni, J.E, Bery, N, Legg, S, Breed, J, Embrey, K, Stubbs, C, Kolasinska-Zwierz, P, Barrett, N, Marwood, R, Watson, J, Tart, J, Overman, R, Miller, A, Phillips, C, Minter, R, Rabbitts, T.H. | | Deposit date: | 2018-07-20 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | KRAS-specific inhibition using a DARPin binding to a site in the allosteric lobe.
Nat Commun, 10, 2019
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5MJ0
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4LB6
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6GX6
 | | Crystal structure of IMP3 RRM12 in complex with RNA (ACAC) | | Descriptor: | 1,2-ETHANEDIOL, Insulin-like growth factor 2 mRNA-binding protein 3, PHOSPHATE ION, ... | | Authors: | Jia, M, Gut, H, Chao, A.J. | | Deposit date: | 2018-06-26 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of IMP3 RRM12 recognition of RNA.
RNA, 24, 2018
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7KN5
 | | Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobodies VHH E and U | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | | Deposit date: | 2020-11-04 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021
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8UTY
 | | KIF1A[1-393] P364L mutant AMP-PNP bound two-heads-bound state in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF1A, ... | | Authors: | Benoit, M.P.M.H, Rao, L, Asenjo, A.B, Gennerich, A, Sosa, H. | | Deposit date: | 2023-10-31 | | Release date: | 2024-06-12 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM unveils kinesin KIF1A's processivity mechanism and the impact of its pathogenic variant P305L.
Nat Commun, 15, 2024
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7KJF
 | | Wild-type epi-isozizaene synthase: complex with 3 Mg2+ and neridronate | | Descriptor: | (6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Ronnebaum, T.A, Gardner, S.M, Christianson, D.W. | | Deposit date: | 2020-10-26 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
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5J16
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6MHB
 | | Glutathione S-Transferase Omega 1 bound to covalent inhibitor 18 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase omega-1, N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide | | Authors: | Petrunak, E.M, Stuckey, J.A. | | Deposit date: | 2018-09-17 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure-Based Design of N-(5-Phenylthiazol-2-yl)acrylamides as Novel and Potent Glutathione S-Transferase Omega 1 Inhibitors.
J. Med. Chem., 62, 2019
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8UAN
 | | The crystal structure of cobalt-bound human ADO C18S C239S variant at 1.99 Angstrom | | Descriptor: | 2-aminoethanethiol dioxygenase, COBALT (II) ION, GLYCEROL | | Authors: | Liu, A, Li, J, Duan, R, Shin, I. | | Deposit date: | 2023-09-21 | | Release date: | 2024-07-17 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Cobalt(II)-Substituted Cysteamine Dioxygenase Oxygenation Proceeds through a Cobalt(III)-Superoxo Complex.
J.Am.Chem.Soc., 146, 2024
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5TU8
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6MI4
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4X6Q
 | | An Isoform-specific Myristylation Switch Targets RIIb PKA Holoenzymes to Membranes | | Descriptor: | cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase type II-beta regulatory subunit | | Authors: | Zhang, P, Ye, F, Bastidas, A.C, Kornev, A.P, Ginsberg, M.H, Taylor, S.S. | | Deposit date: | 2014-12-08 | | Release date: | 2015-07-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | An Isoform-Specific Myristylation Switch Targets Type II PKA Holoenzymes to Membranes.
Structure, 23, 2015
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7KS6
 | | STRUCTURE OF TETRASACCHARIDE BUILDING BLOCK OF A SULFATED FUCAN FROM LYTECHINUS VARIEGATUS | | Descriptor: | 4-O-sulfo-alpha-L-fucopyranose-(1-3)-2,4-di-O-sulfo-alpha-L-fucopyranose-(1-3)-2-O-sulfo-alpha-L-fucopyranose-(1-3)-2-O-sulfo-alpha-L-fucopyranose | | Authors: | Kim, S.B, Thara, R, Aderibigbe, A.O, Doerksen, R.J, Pomin, V.H. | | Deposit date: | 2020-11-21 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Conformational properties of l-fucose and the tetrasaccharide building block of the sulfated l-fucan from Lytechinus variegatus.
J.Struct.Biol., 209, 2020
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5IEV
 | | Crystal structure of BAY 1000394 (Roniciclib) bound to CDK2 | | Descriptor: | Cyclin-dependent kinase 2, Roniciclib | | Authors: | Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M. | | Deposit date: | 2016-02-25 | | Release date: | 2016-04-27 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
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6MIE
 | | Solution NMR structure of the KCNQ1 voltage-sensing domain | | Descriptor: | Potassium voltage-gated channel subfamily KQT member 1 | | Authors: | Taylor, K.C, Kuenze, G, Smith, J.A, Meiler, J, McFeeters, R.L, Sanders, C.R. | | Deposit date: | 2018-09-19 | | Release date: | 2020-03-04 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure and physiological function of the human KCNQ1 channel voltage sensor intermediate state.
Elife, 9, 2020
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3P90
 | | Crystal Structure Analysis of H207F Mutant of Human CLIC1 | | Descriptor: | Chloride intracellular channel protein 1 | | Authors: | Cross, M.O, Fanucchi, S, Achilonu, I.A, Fernandes, M.A, Dirr, H.W. | | Deposit date: | 2010-10-15 | | Release date: | 2010-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Role of individual histidines in the pH-dependent global stability of human chloride intracellular channel 1.
Biochemistry, 51, 2012
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