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5J1E
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BU of 5j1e by Molmil
Crystal Structure of a Hydroxypyridone Carboxylic Acid Active-Site RNase H Inhibitor in Complex with HIV Reverse Transcriptase
Descriptor: 5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid, HIV-1 REVERSE TRANSCRIPTASE P51 DOMAIN, HIV-1 REVERSE TRANSCRIPTASE P66 DOMAIN, ...
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2016-03-29
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design, Synthesis, and Biological Evaluations of Hydroxypyridonecarboxylic Acids as Inhibitors of HIV Reverse Transcriptase Associated RNase H.
J.Med.Chem., 59, 2016
4MRN
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BU of 4mrn by Molmil
Structure of a bacterial Atm1-family ABC transporter
Descriptor: ABC transporter related protein, LAURYL DIMETHYLAMINE-N-OXIDE, PHOSPHATE ION
Authors:Lee, J.Y, Yang, J.G, Zhitnitsky, D, Lewinson, O, Rees, D.C.
Deposit date:2013-09-17
Release date:2014-03-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for heavy metal detoxification by an Atm1-type ABC exporter.
Science, 343, 2014
4MIG
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BU of 4mig by Molmil
Pyranose 2-oxidase from Phanerochaete chrysosporium, recombinant wild type
Descriptor: 3-deoxy-3-fluoro-beta-D-glucopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, MANGANESE (II) ION, ...
Authors:Hassan, N, Tan, T.C, Spadiut, O, Pisanelli, I, Fusco, L, Haltrich, D, Peterbauer, C, Divne, C.
Deposit date:2013-08-31
Release date:2013-12-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of Phanerochaete chrysosporium pyranose 2-oxidase suggest that the N-terminus acts as a propeptide that assists in homotetramer assembly.
FEBS Open Bio, 3, 2013
4MIH
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BU of 4mih by Molmil
Pyranose 2-oxidase from Phanerochaete chrysosporium, recombinant H158A mutant
Descriptor: 3-deoxy-3-fluoro-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase
Authors:Hassan, N, Tan, T.C, Spadiut, O, Pisanelli, I, Fusco, L, Haltrich, D, Peterbauer, C, Divne, C.
Deposit date:2013-08-31
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of Phanerochaete chrysosporium pyranose 2-oxidase suggest that the N-terminus acts as a propeptide that assists in homotetramer assembly.
FEBS Open Bio, 3, 2013
5IY7
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BU of 5iy7 by Molmil
Human holo-PIC in the open state
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB10, DNA-directed RNA polymerase II subunit RPB11-a, ...
Authors:He, Y, Yan, C, Fang, J, Inouye, C, Tjian, R, Ivanov, I, Nogales, E.
Deposit date:2016-03-24
Release date:2016-05-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (8.6 Å)
Cite:Near-atomic resolution visualization of human transcription promoter opening.
Nature, 533, 2016
4MN8
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BU of 4mn8 by Molmil
Crystal structure of flg22 in complex with the FLS2 and BAK1 ectodomains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BRASSINOSTEROID INSENSITIVE 1-associated receptor kinase 1, ...
Authors:Chai, J, Sun, Y, Han, Z.
Deposit date:2013-09-10
Release date:2013-12-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.062 Å)
Cite:Structural basis for flg22-induced activation of the Arabidopsis FLS2-BAK1 immune complex.
Science, 342, 2013
5J2P
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BU of 5j2p by Molmil
HIV-1 reverse transcriptase in complex with DNA that has incorporated EFdA-MP at the P-(post-translocation) site and a second EFdA-MP at the N-(pre-translocation) site
Descriptor: 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate), DNA (27-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(6FM)P*(6FM))-3'), ...
Authors:Salie, Z.L, Kirby, K.A, Sarafianos, S.G.
Deposit date:2016-03-29
Release date:2016-08-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural basis of HIV inhibition by translocation-defective RT inhibitor 4'-ethynyl-2-fluoro-2'-deoxyadenosine (EFdA).
Proc.Natl.Acad.Sci.USA, 113, 2016
4MQG
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BU of 4mqg by Molmil
Structure of Carbonmonoxy Adult Hemoglobin Bristol-Alesha alphawtbetaV67M
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Soman, J, Olson, J.S.
Deposit date:2013-09-16
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure of Carbonmonoxy Adult Hemoglobin Bristol-Alesha alphawtbetaV67M
To be Published
4MQS
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BU of 4mqs by Molmil
Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo
Descriptor: 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Muscarinic acetylcholine receptor M2, Nanobody 9-8
Authors:Kruse, A.C, Ring, A.M, Manglik, A, Hu, J, Hu, K, Eitel, K, Huebner, H, Pardon, E, Valant, C, Sexton, P.M, Christopoulos, A, Felder, C.C, Gmeiner, P, Steyaert, J, Weis, W.I, Garcia, K.C, Wess, J, Kobilka, B.K.
Deposit date:2013-09-16
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nature, 504, 2013
5J3V
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BU of 5j3v by Molmil
Crystal structure of human Karyopherin-beta2 bound to the histone H3 tail
Descriptor: Histone H3, Transportin-1,Transportin-1
Authors:Soniat, M, Chook, Y.M.
Deposit date:2016-03-31
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Karyopherin-beta 2 Recognition of a PY-NLS Variant that Lacks the Proline-Tyrosine Motif.
Structure, 24, 2016
4MIF
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BU of 4mif by Molmil
Pyranose 2-oxidase from Phanerochaete chrysosporium, wild type from natural source
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, MAGNESIUM ION, Pyranose 2-oxidase
Authors:Hassan, N, Tan, T.C, Spadiut, O, Pisanelli, I, Fusco, L, Haltrich, D, Peterbauer, C, Divne, C.
Deposit date:2013-08-31
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of Phanerochaete chrysosporium pyranose 2-oxidase suggest that the N-terminus acts as a propeptide that assists in homotetramer assembly.
FEBS Open Bio, 3, 2013
4MVL
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BU of 4mvl by Molmil
Crystal structure of an engineered lipocalin (Anticalin H1GA) in complex with the Alzheimer amyloid peptide Abeta1-40
Descriptor: Beta-amyloid protein 40, Neutrophil gelatinase-associated lipocalin
Authors:Eichinger, A, Skerra, A.
Deposit date:2013-09-24
Release date:2015-08-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:High-affinity Anticalins with aggregation-blocking activity directed against the Alzheimer beta-amyloid peptide.
Biochem.J., 473, 2016
5J8C
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BU of 5j8c by Molmil
Human MOF C316S, E350Q crystal structure
Descriptor: CHLORIDE ION, Histone acetyltransferase KAT8, SODIUM ION, ...
Authors:McCullough, C.E, Marmorstein, R.
Deposit date:2016-04-07
Release date:2016-07-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural and Functional Role of Acetyltransferase hMOF K274 Autoacetylation.
J.Biol.Chem., 291, 2016
5J8F
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BU of 5j8f by Molmil
Human MOF K274P crystal structure
Descriptor: CHLORIDE ION, Histone acetyltransferase KAT8, ZINC ION
Authors:McCullough, C.E, Marmorstein, R.
Deposit date:2016-04-07
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Functional Role of Acetyltransferase hMOF K274 Autoacetylation.
J.Biol.Chem., 291, 2016
5J61
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BU of 5j61 by Molmil
D-aminoacyl-tRNA deacylase (DTD) from Plasmodium falciparum in complex with glycyl-3'-aminoadenosine at 2.10 Angstrom resolution
Descriptor: 3'-deoxy-3'-(glycylamino)adenosine, D-tyrosyl-tRNA(Tyr) deacylase
Authors:Routh, S.B, Ahmad, S, Sankaranarayanan, R.
Deposit date:2016-04-04
Release date:2016-09-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Elongation Factor Tu Prevents Misediting of Gly-tRNA(Gly) Caused by the Design Behind the Chiral Proofreading Site of D-Aminoacyl-tRNA Deacylase
Plos Biol., 14, 2016
4MRS
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BU of 4mrs by Molmil
Structure of a bacterial Atm1-family ABC transporter
Descriptor: ABC transporter related protein, LAURYL DIMETHYLAMINE-N-OXIDE, OXIDIZED GLUTATHIONE DISULFIDE, ...
Authors:Lee, J.Y, Yang, J.G, Zhitnitsky, D, Lewinson, O, Rees, D.C.
Deposit date:2013-09-17
Release date:2014-03-19
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for heavy metal detoxification by an Atm1-type ABC exporter.
Science, 343, 2014
4MWO
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BU of 4mwo by Molmil
Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor CPB-T
Descriptor: 1-{3,5-O-[(4-carboxyphenyl)(phosphono)methylidene]-2-deoxy-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, 5'(3')-deoxyribonucleotidase, mitochondrial, ...
Authors:Pachl, P, Rezacova, P, Brynda, J.
Deposit date:2013-09-25
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases.
Org.Biomol.Chem., 12, 2014
5JBN
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BU of 5jbn by Molmil
Crystal Structure of Apo Phosphopantetheine Adenylyltransferase (PPAT/CoaD) from E. coli
Descriptor: DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Proudfoot, A, Bussiere, D.
Deposit date:2016-04-13
Release date:2016-05-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Facilitating unambiguous NMR assignments and enabling higher probe density through selective labeling of all methyl containing amino acids.
J.Biomol.Nmr, 65, 2016
4L6A
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BU of 4l6a by Molmil
Structure of human mitochondrial 5'(3')-deoxyribonucleotidase
Descriptor: 5'(3')-deoxyribonucleotidase, mitochondrial, DI(HYDROXYETHYL)ETHER, ...
Authors:Pachl, P, Brynda, J, Rezacova, P.
Deposit date:2013-06-12
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structures of human cytosolic and mitochondrial nucleotidases: implications for structure-based design of selective inhibitors.
Acta Crystallogr. D Biol. Crystallogr., 70, 2014
4L3B
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BU of 4l3b by Molmil
X-ray structure of the HRV2 A particle uncoating intermediate
Descriptor: Protein VP1, Protein VP2, Protein VP3
Authors:Vives-Adrian, L, Querol-Audi, J, Garriga, D, Pous, J, Verdaguer, N.
Deposit date:2013-06-05
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (6.5 Å)
Cite:Uncoating of common cold virus is preceded by RNA switching as determined by X-ray and cryo-EM analyses of the subviral A-particle.
Proc.Natl.Acad.Sci.USA, 110, 2013
5JCW
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BU of 5jcw by Molmil
Crystal Structure of hGSTP1-1 with Glutathione Adduct of Phenethyl Isothiocyanate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Kumari, V, Ji, X.
Deposit date:2016-04-15
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Irreversible Inhibition of Glutathione S-Transferase by Phenethyl Isothiocyanate (PEITC), a Dietary Cancer Chemopreventive Phytochemical.
Plos One, 11, 2016
4L6H
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BU of 4l6h by Molmil
Crystal structure of the Candida albicans Methionine Synthase in complex with Methotrexate and Homocysteine
Descriptor: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, METHOTREXATE, ...
Authors:Ubhi, D, Robertus, J.D.
Deposit date:2013-06-12
Release date:2014-03-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural analysis of a fungal methionine synthase with substrates and inhibitors.
J.Mol.Biol., 426, 2014
5JLF
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BU of 5jlf by Molmil
Structure of the F-actin-tropomyosin complex (Reprocessed)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:von der Ecken, J, Raunser, S.
Deposit date:2016-04-27
Release date:2016-06-15
Last modified:2020-02-12
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structure of a human cytoplasmic actomyosin complex at near-atomic resolution.
Nature, 534, 2016
4LCD
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BU of 4lcd by Molmil
Structure of an Rsp5xUbxSna3 complex: Mechanism of ubiquitin ligation and lysine prioritization by a HECT E3
Descriptor: E3 ubiquitin-protein ligase RSP5, Protein SNA3, Ubiquitin
Authors:Kamadurai, H.B, Miller, D, Schulman, B.A.
Deposit date:2013-06-21
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mechanism of ubiquitin ligation and lysine prioritization by a HECT E3.
Elife, 2, 2013
4KXD
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BU of 4kxd by Molmil
Crystal structure of human aminopeptidase A complexed with glutamate and calcium
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:Yang, Y, Liu, C, Lin, Y.Y, Li, F.
Deposit date:2013-05-25
Release date:2013-07-31
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural insights into central hypertension regulation by human aminopeptidase a.
J.Biol.Chem., 288, 2013

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