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6FBF	KlenTaq DNA polymerase processing a modified primer - bearing the modification upstream at the fourth primer nucleotide. Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*AP*AP*CP*GP*CP*GP*GP*TP*GP*CP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*GP*CP*AP*(OH3)P*CP*GP*C)-3'), ... Authors: Kropp, H.M, Diederichs, K, Marx, A. Deposit date: 2017-12-19 Release date: 2018-09-26 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.001 Å) Cite: Snapshots of a modified nucleotide moving through the confines of a DNA polymerase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7SAA	Glycine and glutamate bound GluN1a-GluN2B NMDA receptors in non-active 1 conformation at 2.97 Angstrom resolution Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ... Authors: Chou, T.-H, Furukawa, H. Deposit date: 2021-09-22 Release date: 2022-07-20 Method: ELECTRON MICROSCOPY (2.97 Å) Cite: Structural insights into binding of therapeutic channel blockers in NMDA receptors. Nat.Struct.Mol.Biol., 29, 2022
7SL5	Crystal Structure of VP12E7 Fab in complex with SARS-CoV-2 S fusion peptide Descriptor: Heavy chain VP12E7 Fab, Light chain VP12E7 Fab, PRO-SER-LYS-ARG-SER-PHE-ILE-GLU-ASP-LEU-LEU-PHE-ASN Authors: Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2021-10-22 Release date: 2022-07-20 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.5 Å) Cite: ACE2-binding exposes the SARS-CoV-2 fusion peptide to broadly neutralizing coronavirus antibodies. Science, 377, 2022
6FB2	Crystal Structure of a Tailored I-CreI Homing Endonuclease Protein (3115 variant) in complex with its target DNA (Haemoglobin beta subunit gene) in the presence of Manganese Descriptor: DNA (5'-D(*TP*CP*AP*GP*AP*CP*TP*TP*CP*TP*CP*CP*AP*C)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*CP*TP*CP*CP*TP*GP*TP*GP*G)-3'), DNA (5'-D(P*AP*GP*AP*AP*GP*TP*CP*TP*GP*A)-3'), ... Authors: Molina, R, Prieto, J. Deposit date: 2017-12-18 Release date: 2018-07-18 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.95 Å) Cite: Understanding the indirect DNA read-out specificity of I-CreI Meganuclease. Sci Rep, 8, 2018
6FBC	KlenTaq DNA polymerase processing a modified primer - bearing the modification at the 3'-terminus of the primer. Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*AP*AP*CP*GP*TP*GP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ... Authors: Kropp, H.M, Diederichs, K, Marx, A. Deposit date: 2017-12-19 Release date: 2018-09-26 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Snapshots of a modified nucleotide moving through the confines of a DNA polymerase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2LHB	REFINEMENT OF A MOLECULAR MODEL FOR LAMPREY HEMOGLOBIN FROM PETROMYZON MARINUS Descriptor: CYANIDE ION, HEMOGLOBIN V (CYANO MET), PROTOPORPHYRIN IX CONTAINING FE Authors: Honzatko, R.B, Hendrickson, W.A, Love, W.E. Deposit date: 1985-08-16 Release date: 1986-01-21 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2 Å) Cite: Refinement of a molecular model for lamprey hemoglobin from Petromyzon marinus. J.Mol.Biol., 184, 1985
4XJR	The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed Descriptor: (6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-L-gulonic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Dirr, L, El-Deeb, I, Guillon, P, Carroux, C, Chavas, L, von Itzstein, M. Deposit date: 2015-01-08 Release date: 2015-02-11 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (3 Å) Cite: The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed. Angew.Chem.Int.Ed.Engl., 54, 2015
3RB5	Crystal structure of calcium binding domain CBD12 of CALX1.1 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Na/Ca exchange protein, ... Authors: Wu, M, Zheng, L. Deposit date: 2011-03-28 Release date: 2011-11-02 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Structural Basis of the Ca(2+) Inhibitory Mechanism of Drosophila Na(+)/Ca(2+) Exchanger CALX and Its Modification by Alternative Splicing. Structure, 19, 2011
4LE4	Crystal structure of PaGluc131A with cellotriose Descriptor: Beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose Authors: Jiang, T, Chan, H.C, Huang, C.H, Ko, T.P, Huang, T.Y, Liu, J.R, Guo, R.T. Deposit date: 2013-06-25 Release date: 2013-09-11 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal Structures of a GH131 beta-Glucanase Catalytic Domain from Podospora anserina in Complex with Cellotriose To be Published
4LO5	HA70-alpha2,3-SiaLC Descriptor: CHLORIDE ION, HA-70, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose Authors: Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. Deposit date: 2013-07-12 Release date: 2013-10-30 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
3KBM	Room Temperature X-ray structure of D-Xylose Isomerase complexed with 2Cd(2+) co-factors and d12-D-alpha-glucose in the cyclic form Descriptor: CADMIUM ION, Xylose isomerase, alpha-D-glucopyranose Authors: Kovalevsky, A.Y, Hanson, L, Langan, P. Deposit date: 2009-10-20 Release date: 2010-06-16 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study. Structure, 18, 2010
3KCL	Room temperature neutron structure of D-Xylose Isomerase in complex with two Cd2+ cations and d12-D-alpha-glucose in the ring form (refined jointly with X-ray structure 3KBM) Descriptor: CADMIUM ION, Xylose isomerase, alpha-D-glucopyranose Authors: Kovalevsky, A.Y, Langan, P. Deposit date: 2009-10-21 Release date: 2010-06-16 Last modified: 2024-04-03 Method: NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION Cite: Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study. Structure, 18, 2010
3R29	Crystal structure of RXRalpha ligand-binding domain complexed with corepressor SMRT2 Descriptor: Nuclear receptor corepressor 2, Retinoic acid receptor RXR-alpha Authors: Zhang, H, Chen, L, Chen, J, Jiang, H, Shen, X. Deposit date: 2011-03-14 Release date: 2011-05-25 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Structural basis for retinoic x receptor repression on the tetramer. J.Biol.Chem., 286, 2011
3R2A	Crystal structure of RXRalpha ligand-binding domain complexed with corepressor SMRT2 and antagonist rhein Descriptor: 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, Nuclear receptor corepressor 2, Retinoic acid receptor RXR-alpha Authors: Zhang, H, Chen, L, Chen, J, Jiang, H, Shen, X. Deposit date: 2011-03-14 Release date: 2011-05-25 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural basis for retinoic x receptor repression on the tetramer. J.Biol.Chem., 286, 2011
3RTI	Crystal structure of ricin bound with formycin monophosphate Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FORMYCIN-5'-MONOPHOSPHATE, Ricin, ... Authors: Monzingo, A.F, Robertus, J.D. Deposit date: 2011-05-03 Release date: 2011-08-31 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.8 Å) Cite: X-ray analysis of substrate analogs in the ricin A-chain active site. J.Mol.Biol., 227, 1992
4LO2	HA17-HA33-Lac Descriptor: HA-17, HA-33, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose Authors: Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. Deposit date: 2013-07-12 Release date: 2013-10-30 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.254 Å) Cite: Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
3RLF	Crystal structure of the maltose-binding protein/maltose transporter complex in an outward-facing conformation bound to MgAMPPNP Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, MAGNESIUM ION, Maltose transport system permease protein malF, ... Authors: Oldham, M.L, Chen, J. Deposit date: 2011-04-19 Release date: 2011-08-10 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Snapshots of the maltose transporter during ATP hydrolysis. Proc.Natl.Acad.Sci.USA, 108, 2011
3RO4	X-ray Structure of Ketohexokinase in complex with an indazole compound derivative Descriptor: 3-ethyl-6-[(3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-phenyl-1H-indazole, Ketohexokinase, SULFATE ION Authors: Abad, M.C, Gibbs, A.C. Deposit date: 2011-04-25 Release date: 2011-08-03 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Optimization of a pyrazole hit from FBDD into a novel series of indazoles as ketohexokinase inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
3RT6	Fluorowillardiine bound to the ligand binding domain of GluA3 Descriptor: 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, Glutamate receptor 3, ZINC ION Authors: Ahmed, A.H, Oswald, R.E. Deposit date: 2011-05-03 Release date: 2011-05-18 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.836 Å) Cite: Mechanisms of Modal Activation of GluA3 Receptors. Mol.Pharmacol., 80, 2011
3RGZ	Structural insight into brassinosteroid perception by BRI1 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Chai, J, Han, Z, She, J, Wang, J, Cheng, W. Deposit date: 2011-04-11 Release date: 2011-06-15 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.281 Å) Cite: Structural insight into brassinosteroid perception by BRI1. Nature, 474, 2011
3KLY	Pentameric formate channel Descriptor: Putative formate transporter 1, octyl beta-D-glucopyranoside Authors: Waight, A.B, Wang, D.N, New York Consortium on Membrane Protein Structure (NYCOMPS) Deposit date: 2009-11-09 Release date: 2009-12-15 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure and mechanism of a pentameric formate channel Nat.Struct.Mol.Biol., 17, 2010
3RT8	Chlorowillardiine bound to the ligand binding domain of GluA3 Descriptor: 3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine, Glutamate receptor 3, ZINC ION Authors: Ahmed, A.H, Oswald, R.E. Deposit date: 2011-05-03 Release date: 2011-05-18 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.426 Å) Cite: Mechanisms of Modal Activation of GluA3 Receptors. Mol.Pharmacol., 80, 2011
3L38	Bace1 in complex with the aminopyridine Compound 44 Descriptor: 6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine, Beta-secretase 1 Authors: Olland, A.M, Chopra, R. Deposit date: 2009-12-16 Release date: 2010-04-28 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
7SIM	Structure of positive allosteric modulator-free active human calcium-sensing receptor Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... Authors: Park, J, Zuo, H, Frangaj, A, Fu, Z, Yen, L.Y, Zhang, Z, Mosyak, L, Slavkovich, V.N, Liu, J, Ray, K.M, Cao, B, Vallese, F, Geng, Y, Chen, S, Grassucci, R, Dandey, V.P, Tan, Y.Z, Eng, E, Lee, Y, Kloss, B, Liu, Z, Hendrickson, W.A, Potter, C.S, Carragher, B, Graziano, J, Conigrave, A.D, Frank, J, Clarke, O.B, Fan, Q.R. Deposit date: 2021-10-14 Release date: 2022-01-19 Method: ELECTRON MICROSCOPY (2.7 Å) Cite: Symmetric activation and modulation of the human calcium-sensing receptor. Proc.Natl.Acad.Sci.USA, 118, 2021
3KNQ	Beta Turn Optimization of the Gene-3-Protein of Filamentous Phage Fd Descriptor: Attachment protein G3P Authors: Jakob, R.P, Dobbek, H. Deposit date: 2009-11-12 Release date: 2009-11-24 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.13 Å) Cite: Elimination of a cis-proline-containing loop and turn optimization stabilizes a protein and accelerates its folding. J.Mol.Biol., 399, 2010

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