3NZQ
 
 | | Crystal Structure of Biosynthetic arginine decarboxylase ADC (SpeA) from Escherichia coli, Northeast Structural Genomics Consortium Target ER600 | | Descriptor: | Biosynthetic arginine decarboxylase, SULFATE ION | | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-07-16 | | Release date: | 2010-09-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structures of bacterial biosynthetic arginine decarboxylases.
Acta Crystallogr.,Sect.F, 66, 2010
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5KPQ
 | | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | | Descriptor: | 1-[[4-fluoranyl-3-[(3R)-3-methyl-4-propyl-piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1 | | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | | Deposit date: | 2016-07-05 | | Release date: | 2016-12-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
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5KQF
 | | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine (compound 12) bound to BACE1 | | Descriptor: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1 | | Authors: | Lewis, H.A, Wu, Y.J, Rajamani, R, Thompson, L.A. | | Deposit date: | 2016-07-06 | | Release date: | 2016-09-07 | | Last modified: | 2016-10-05 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of S3-Truncated, C-6 Heteroaryl Substituted Aminothiazine beta-Site APP Cleaving Enzyme-1 (BACE1) Inhibitors.
J.Med.Chem., 59, 2016
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8DK5
 | | Structure of 187bp LIN28b nucleosome with site 0 mutation | | Descriptor: | DNA (187-MER), Histone H2A type 2-C, Histone H2B type 2-E, ... | | Authors: | Lian, T, Guan, R, Bai, Y. | | Deposit date: | 2022-07-02 | | Release date: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | Structural mechanism of LIN28B nucleosome targeting by OCT4.
Mol.Cell, 83, 2023
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5KR1
 | | Protease PR5-DRV | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease PR5-DRV | | Authors: | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | Deposit date: | 2016-07-06 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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5KR8
 | | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (compound 5) bound to BACE1 | | Descriptor: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, IODIDE ION | | Authors: | Lewis, H.A, Wu, Y.J, Rajamani, R, Thompson, L.A. | | Deposit date: | 2016-07-07 | | Release date: | 2016-09-07 | | Last modified: | 2016-10-05 | | Method: | X-RAY DIFFRACTION (2.118 Å) | | Cite: | Discovery of S3-Truncated, C-6 Heteroaryl Substituted Aminothiazine beta-Site APP Cleaving Enzyme-1 (BACE1) Inhibitors.
J.Med.Chem., 59, 2016
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6S8J
 | | Structure of ZEBOV GP in complex with 5T0180 antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope Glycoprotein 1, Envelope glycoprotein, ... | | Authors: | Diskin, R, Cohen-Dvashi, H. | | Deposit date: | 2019-07-10 | | Release date: | 2020-02-12 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | Structural Basis for a Convergent Immune Response against Ebola Virus.
Cell Host Microbe, 27, 2020
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6S9A
 | | Artificial GTPase-BSE dimer of human Dynamin1 | | Descriptor: | CHLORIDE ION, Dynamin-1,Dynamin-1, ZINC ION | | Authors: | Ganichkin, O.M, Vancraenenbroeck, R, Rosenblum, G, Hofmann, H, Daumke, O, Noel, J.K. | | Deposit date: | 2019-07-11 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Quantification and demonstration of the collective constriction-by-ratchet mechanism in the dynamin molecular motor.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5KTE
 | | Crystal structure of Deinococcus radiodurans MntH, an Nramp-family transition metal transporter | | Descriptor: | Divalent metal cation transporter MntH, Fab Heavy Chain, Fab Light Chain, ... | | Authors: | Bane, L.B, Gaudet, R, Weihofen, W.A, Singharoy, A. | | Deposit date: | 2016-07-11 | | Release date: | 2016-11-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.941 Å) | | Cite: | Crystal Structure and Conformational Change Mechanism of a Bacterial Nramp-Family Divalent Metal Transporter.
Structure, 24, 2016
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5KPW
 | | Structure of RelA bound to ribosome in presence of A/R tRNA (Structure III) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Loveland, A.B, Bah, E, Madireddy, R, Zhang, Y, Brilot, A.F, Grigorieff, N, Korostelev, A.A. | | Deposit date: | 2016-07-05 | | Release date: | 2016-09-28 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Ribosome•RelA structures reveal the mechanism of stringent response activation.
Elife, 5, 2016
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1N9W
 | | Crystal structure of the non-discriminating and archaeal-type aspartyl-tRNA synthetase from Thermus thermophilus | | Descriptor: | aspartyl-tRNA synthetase 2 | | Authors: | Charron, C, Roy, H, Blaise, M, Giege, R, Kern, D. | | Deposit date: | 2002-11-26 | | Release date: | 2003-04-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Non-discriminating and discriminating aspartyl-tRNA synthetases differ in
the anticodon-binding domain
EMBO J., 22, 2003
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5KZE
 | | N-acetylneuraminate lyase from methicillin-resistant Staphylococcus aureus | | Descriptor: | GLYCEROL, N-acetylneuraminate lyase, SULFATE ION | | Authors: | North, R.A, Watson, A.J.A, Pearce, F.G, Muscroft-Taylor, A.C, Friemann, R, Fairbanks, A.J, Dobson, R.C.J. | | Deposit date: | 2016-07-25 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structure and inhibition of N-acetylneuraminate lyase from methicillin-resistant Staphylococcus aureus.
FEBS Lett., 590, 2016
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6SH3
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5L74
 | | Plexin A2 extracellular segment domains 4-5 (PSI2-IPT2), resolution 1.36 Angstrom | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Plexin-A2, ... | | Authors: | Kong, Y, Janssen, B.J.C, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
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5L7N
 | | Plexin A1 extracellular fragment, domains 7-10 (IPT3-IPT6) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kong, Y, Janssen, B.J.C, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y. | | Deposit date: | 2016-06-03 | | Release date: | 2017-03-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
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5L59
 | | Plexin A1 full extracellular region, domains 1 to 10, to 6 angstrom, spacegroup P2(1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-A1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y. | | Deposit date: | 2016-05-28 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (6 Å) | | Cite: | Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
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5L5K
 | | Plexin A4 full extracellular region, domains 1 to 10, data to 7.5 angstrom, spacegroup P4(1) | | Descriptor: | Plexin-A4 | | Authors: | Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y. | | Deposit date: | 2016-05-28 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (7.501 Å) | | Cite: | Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
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1MY1
 | | crystal titration experiments (AMPA co-crystals soaked in 10 nM BrW) | | Descriptor: | GLUTAMATE RECEPTOR 2, ZINC ION | | Authors: | Jin, R, Gouaux, E. | | Deposit date: | 2002-10-03 | | Release date: | 2003-06-10 | | Last modified: | 2017-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal
Biochemistry, 42, 2003
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5L5L
 | | Plexin A4 full extracellular region, domains 1 to 8 modeled, data to 8 angstrom, spacegroup P2(1) | | Descriptor: | Plexin-A4 | | Authors: | Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y. | | Deposit date: | 2016-05-28 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (8.001 Å) | | Cite: | Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
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6S8I
 | | Structure of ZEBOV GP in complex with 3T0265 antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, Enveloped Glycoprotein 1, ... | | Authors: | Diskin, R, Cohen-Dvashi, H. | | Deposit date: | 2019-07-10 | | Release date: | 2020-02-12 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Structural Basis for a Convergent Immune Response against Ebola Virus.
Cell Host Microbe, 27, 2020
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5L95
 | | Crystal structure of human UBA5 in complex with UFM1 and AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Ubiquitin-fold modifier 1, Ubiquitin-like modifier-activating enzyme 5, ... | | Authors: | Oweis, W, Padala, P, Wiener, R. | | Deposit date: | 2016-06-09 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Trans-Binding Mechanism of Ubiquitin-like Protein Activation Revealed by a UBA5-UFM1 Complex.
Cell Rep, 16, 2016
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5LAU
 | | Oceanobacillus iheyensis macrodomain mutant G37V with ADPR | | Descriptor: | GLYCEROL, MacroD-type macrodomain, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A. | | Deposit date: | 2016-06-15 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis.
Open Biol, 7, 2017
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5LBA
 | | Crystal structure of human RECQL5 helicase in complex with DSPL fragment(1-cyclohexyl-3-(oxolan-2-ylmethyl)urea, SGC - Diamond XChem I04-1 fragment screening. | | Descriptor: | 1-cyclohexyl-3-[[(2~{R})-oxolan-2-yl]methyl]urea, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, ... | | Authors: | Newman, J.A, Aitkenhead, H, Talon, R, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-15 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of human RECQL5 helicase in complex with 3D fragment (1-cyclohexyl-3-(oxolan-2-ylmethyl)urea)
To be published
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3O1Y
 | | Electron transfer complexes: Experimental mapping of the redox-dependent cytochrome c electrostatic surface | | Descriptor: | Cytochrome c, HEME C, NITRATE ION | | Authors: | De March, M, De Zorzi, R, Demitri, N, Gabbiani, C, Guerri, A, Casini, A, Messori, L, Geremia, S. | | Deposit date: | 2010-07-22 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Nitrate as a probe of cytochrome c surface: crystallographic identification of crucial "hot spots" for protein-protein recognition.
J. Inorg. Biochem., 135, 2014
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6SF6
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