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6UIS
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BU of 6uis by Molmil
HIV-1 M184V reverse transcriptase-DNA complex with dCTP
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Primer DNA, ...
Authors:Lansdon, E.B.
Deposit date:2019-10-01
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.74833822 Å)
Cite:Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
6U06
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BU of 6u06 by Molmil
Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking
Descriptor: 3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride, Eukaryotic translation initiation factor 4E
Authors:Wan, X.B, Shoichet, B.K, Taunton, J.
Deposit date:2019-08-13
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking.
J.Am.Chem.Soc., 142, 2020
3M02
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BU of 3m02 by Molmil
The Crystal Structure of 5-epi-aristolochene synthase complexed with (2-cis,6-trans)-2-fluorofarnesyl diphosphate
Descriptor: (2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, MAGNESIUM ION
Authors:Noel, J.P, Dellas, N, Faraldos, J.A, Zhao, M, Hess Jr, B.A, Smentek, L, Coates, R.M, O'Maille, P.E.
Deposit date:2010-03-02
Release date:2010-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural elucidation of cisoid and transoid cyclization pathways of a sesquiterpene synthase using 2-fluorofarnesyl diphosphates.
Acs Chem.Biol., 5, 2010
3UYJ
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BU of 3uyj by Molmil
Crystal structure of JMJD5 catalytic core domain in complex with nickle and alpha-KG
Descriptor: 2-OXOGLUTARIC ACID, Lysine-specific demethylase 8, NICKEL (II) ION
Authors:Su, X, Li, H.
Deposit date:2011-12-06
Release date:2011-12-21
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Crystal structure of JMJD5 catalytic core domain in complex with nickle and alpha-KG
To be Published
3SXM
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BU of 3sxm by Molmil
Metal-free FCD domain of TM0439 a putative transcriptional regulator
Descriptor: BICARBONATE ION, Transcriptional regulator, GntR family
Authors:Czelakowski, G.P, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI)
Deposit date:2011-07-15
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Metal-free FCD domain of TM0439 a putative transcriptional regulator
To be Published
3STZ
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BU of 3stz by Molmil
KcsA potassium channel mutant Y82C with nitroxide spin label
Descriptor: POTASSIUM ION, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, Voltage-gated potassium channel, ...
Authors:Raghuraman, H, Cordero-Morales, J, Jogini, V, Perozo, E.
Deposit date:2011-07-11
Release date:2012-04-18
Last modified:2012-10-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanism of Cd(2+) Coordination during Slow Inactivation in Potassium Channels.
Structure, 20, 2012
3UTV
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BU of 3utv by Molmil
Crystal structure of bacteriorhodopsin mutant Y57F
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bacteriorhodopsin, RETINAL
Authors:Cao, Z, Bowie, J.U.
Deposit date:2011-11-26
Release date:2012-05-09
Last modified:2014-07-16
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Shifting hydrogen bonds may produce flexible transmembrane helices.
Proc.Natl.Acad.Sci.USA, 109, 2012
3SXY
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BU of 3sxy by Molmil
Metal-free full-length structure of Tm0439, a metal-binding FCD family transcriptional regulator
Descriptor: Transcriptional regulator, GntR family
Authors:Czelakowski, G.P, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI)
Deposit date:2011-07-15
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.647 Å)
Cite:Metal-free full-length structure of Tm0439, a metal-binding FCD family transcriptional regulator
To be Published
3SUC
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BU of 3suc by Molmil
Crystal structure of the pre-mature bacteriophage phi29 gene product 12
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
Authors:Xiang, Y, Rossmann, M.G.
Deposit date:2011-07-11
Release date:2011-08-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystallographic Insights Into the Autocatalytic Assembly Mechanism of a Bacteriophage Tail Spike
Mol.Cell, 34, 2009
5ZDZ
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BU of 5zdz by Molmil
Hairpin Forming Complex, RAG1/2-Nicked 12RSS/23RSS complex in Ca2+
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (30-MER), ...
Authors:Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W.
Deposit date:2018-02-25
Release date:2018-04-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cracking the DNA Code for V(D)J Recombination
Mol. Cell, 70, 2018
3M2A
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BU of 3m2a by Molmil
Crystallographic and Single Crystal Spectral Analysis of the Peroxidase Ferryl Intermediate
Descriptor: Cytochrome c peroxidase, mitochondrial, PHOSPHATE ION, ...
Authors:Meharenna, Y.T, Poulos, T.L.
Deposit date:2010-03-06
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallographic and single-crystal spectral analysis of the peroxidase ferryl intermediate.
Biochemistry, 49, 2010
4C4V
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BU of 4c4v by Molmil
Structure of the outer membrane protein insertase BamA with one POTRA domain.
Descriptor: OUTER MEMBRANE PROTEIN ASSEMBLY FACTOR BAMA
Authors:Zeth, K, Albrecht, R, Diederichs, K.
Deposit date:2013-09-09
Release date:2014-04-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of Bama, an Essential Factor in Outer Membrane Protein Biogenesis
Acta Crystallogr.,Sect.D, 70, 2014
5Z84
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BU of 5z84 by Molmil
The structure of azide-bound cytochrome c oxidase determined using the crystals exposed to 20 mM azide solution for 4 days
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T.
Deposit date:2018-01-31
Release date:2018-08-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity.
J. Biol. Chem., 293, 2018
4CCE
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BU of 4cce by Molmil
STRUCTURE OF MOUSE GALACTOCEREBROSIDASE WITH GALACTOSE: ENZYME- PRODUCT COMPLEX
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:Hill, C.H, Graham, S.C, Read, R.J, Deane, J.E.
Deposit date:2013-10-21
Release date:2013-12-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural Snapshots Illustrate the Catalytic Cycle of Beta-Galactocerebrosidase, the Defective Enzyme in Krabbe Disease
Proc.Natl.Acad.Sci.USA, 110, 2013
3T0R
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BU of 3t0r by Molmil
Crystal Structure of MjTX-I, a myotoxic Lys49-phospholipase A2 from Bothrops moojeni
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Phospholipase A2 homolog 1
Authors:Salvador, G.H.M, Marchi-Salvador, D.P, Fontes, M.R.M.
Deposit date:2011-07-20
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Crystal Structure of MjTX-I, a myotoxic Lys49-phospholipase A2 from Bothrops moojeni
To be Published
3MN6
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BU of 3mn6 by Molmil
Structures of actin-bound WH2 domains of Spire and the implication for filament nucleation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, CALCIUM ION, ...
Authors:Ducka, A.M, Sitar, T, Popowicz, G.M, Huber, R, Holak, T.A.
Deposit date:2010-04-21
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of actin-bound Wiskott-Aldrich syndrome protein homology 2 (WH2) domains of Spire and the implication for filament nucleation.
Proc.Natl.Acad.Sci.USA, 107, 2010
4C3A
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BU of 4c3a by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy) methyl)pyrrolidin-3-yl)oxy) methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-08-22
Release date:2014-04-02
Last modified:2017-03-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An Accessible Chiral Linker to Enhance Potency and Selectivity of Neuronal Nitric Oxide Synthase Inhibitors.
Acs Med.Chem.Lett., 5, 2014
3MNP
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BU of 3mnp by Molmil
Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by (A611V, V708A, E711G) mutations at 1.50A
Descriptor: DEXAMETHASONE, GLYCEROL, Glucocorticoid receptor, ...
Authors:Schoch, G.A, Seitz, T, Benz, J, Banner, D, Stihle, M, D'Arcy, B, Thoma, R, Sterner, R, Hennig, M, Ruf, A.
Deposit date:2010-04-22
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening.
J.Mol.Biol., 403, 2010
6U7E
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BU of 6u7e by Molmil
HCoV-229E RBD Class III in complex with human APN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aminopeptidase N, ...
Authors:Tomlinson, A.C.A, Li, Z, Rini, J.M.
Deposit date:2019-09-02
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:The human coronavirus HCoV-229E S-protein structure and receptor binding.
Elife, 8, 2019
3SXZ
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BU of 3sxz by Molmil
Metal-free FCD domain of TM0439 a putative transcriptional regulator
Descriptor: Transcriptional regulator, GntR family
Authors:Czelakowski, G.P, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI)
Deposit date:2011-07-15
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.322 Å)
Cite:Metal-free FCD domain of TM0439 a putative transcriptional regulator
To be Published
5ZE0
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BU of 5ze0 by Molmil
Hairpin Forming Complex, RAG1/2-Nicked(with Dideoxy) 12RSS/23RSS complex in Mg2+
Descriptor: 1,2-ETHANEDIOL, DNA (30-MER), DNA (39-MER), ...
Authors:Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W.
Deposit date:2018-02-25
Release date:2018-04-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Cracking the DNA Code for V(D)J Recombination
Mol. Cell, 70, 2018
3T52
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BU of 3t52 by Molmil
L29I Mutation in an Aryl Esterase from Pseudomonas fluorescens Leads to Unique Peptide Flip and Increased Activity
Descriptor: ACETATE ION, Arylesterase, CHLORIDE ION, ...
Authors:Kazlauskas, R.J, Yin, T, Purpero, V.M.
Deposit date:2011-07-26
Release date:2012-08-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:L29I Mutation in an Aryl Esterase from Pseudomonas fluorescens Leads to Unique Peptide Flip and Increased Activity
To be Published
6U9H
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BU of 6u9h by Molmil
Arabidopsis thaliana acetohydroxyacid synthase complex
Descriptor: Acetolactate synthase small subunit 2, chloroplastic, Acetolactate synthase, ...
Authors:Guddat, L.W, Low, Y.S, Rao, Z.
Deposit date:2019-09-08
Release date:2020-07-15
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structures of fungal and plant acetohydroxyacid synthases.
Nature, 586, 2020
5ZIM
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BU of 5zim by Molmil
Crystal structure of bacteriorhodopsin at 1.25 A resolution
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, RETINAL
Authors:Hasegawa, N, Jonotsuka, H, Miki, K, Takeda, K.
Deposit date:2018-03-16
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:X-ray structure analysis of bacteriorhodopsin at 1.3 angstrom resolution.
Sci Rep, 8, 2018
3K46
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BU of 3k46 by Molmil
Crystal structure of full-length E. coli beta-glucuronidase
Descriptor: Beta-glucuronidase
Authors:Wallace, B.D, Lane, K.T, Redinbo, M.R.
Deposit date:2009-10-05
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Alleviating cancer drug toxicity by inhibiting a bacterial enzyme.
Science, 330, 2010

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