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PDB: 139 results

4XK0
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BU of 4xk0 by Molmil
Crystal structure of a tetramolecular RNA G-quadruplex in potassium
Descriptor: BARIUM ION, POTASSIUM ION, RNA (5'-(*UP*GP*GP*GP*GP*U)-3')
Authors:Chen, M.C, Murat, P, Abecassis, K.A, Ferre-D'Amare, A.R, Balasubramanian, S.
Deposit date:2015-01-09
Release date:2015-02-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Insights into the mechanism of a G-quadruplex-unwinding DEAH-box helicase.
Nucleic Acids Res., 43, 2015
8U28
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BU of 8u28 by Molmil
Gaussian mixture model based single particle refinement - SARS (SARS-CoV-2 Spike Proteins on intact virions from EMPIAR-10492)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Chen, M, Pintilie, G.
Deposit date:2023-09-05
Release date:2023-11-15
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Improving resolution and resolvability of single-particle cryoEM structures using Gaussian mixture models.
Nat.Methods, 21, 2024
8U2C
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BU of 8u2c by Molmil
Gaussian mixture model based single particle refinement - ABC transporter (inhibitor-bound ABCG2 from EMPIAR-10374)
Descriptor: 5D3 Fab heavy chain variable domain, 5D3 Fab light chain variable domain, Broad substrate specificity ATP-binding cassette transporter ABCG2, ...
Authors:Chen, M, Pintilie, G.
Deposit date:2023-09-05
Release date:2023-11-15
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Improving resolution and resolvability of single-particle cryoEM structures using Gaussian mixture models.
Nat.Methods, 21, 2024
8U26
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BU of 8u26 by Molmil
Gaussian Mixture Models based single particle refinement - GPCR (Substance P bound to active human neurokinin 1 receptor in complex with miniGs399 from EMPIAR-10786)
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Chen, M, Pintilie, G.
Deposit date:2023-09-05
Release date:2023-11-15
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Improving resolution and resolvability of single-particle cryoEM structures using Gaussian mixture models.
Nat.Methods, 21, 2024
6TCL
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BU of 6tcl by Molmil
Photosystem I tetramer
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Chen, M, Perez-Boerema, A, Li, S, Amunts, A.
Deposit date:2019-11-06
Release date:2020-02-19
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Distinct structural modulation of photosystem I and lipid environment stabilizes its tetrameric assembly.
Nat.Plants, 6, 2020
7PTY
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BU of 7pty by Molmil
Delta-latroinsectotoxin dimer
Descriptor: Delta-latroinsectotoxin-Lt1a
Authors:Chen, M, Gatsogiannis, C.
Deposit date:2021-09-27
Release date:2021-12-08
Method:ELECTRON MICROSCOPY (4.63 Å)
Cite:Molecular architecture of black widow spider neurotoxins.
Nat Commun, 12, 2021
7PTX
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BU of 7ptx by Molmil
Alpha-latrocrustotoxin monomer
Descriptor: Alpha-latrocrustotoxin-Lt1a
Authors:Chen, M, Gatsogiannis, C.
Deposit date:2021-09-27
Release date:2021-12-08
Method:ELECTRON MICROSCOPY (4.03 Å)
Cite:Molecular architecture of black widow spider neurotoxins.
Nat Commun, 12, 2021
5IVG
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BU of 5ivg by Molmil
Crystal structure of Aspergillus terreus aristolochene synthase N299A complexed with farnesyl thiolodiphosphate
Descriptor: Aristolochene synthase, GLYCEROL, MAGNESIUM ION, ...
Authors:Chen, M, Christianson, D.W.
Deposit date:2016-03-20
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.
Biochemistry, 55, 2016
8JTN
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BU of 8jtn by Molmil
Tudor domain of TDRD3 in complex with a small molecule
Descriptor: 2-propyl-2-azoniatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-8-amine, Tudor domain-containing protein 3
Authors:Chen, M, Wang, Z, Li, W, Shang, X, Liu, Y.
Deposit date:2023-06-22
Release date:2023-08-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Tudor domain of TDRD3 in complex with a small molecule antagonist.
Biochim Biophys Acta Gene Regul Mech, 1866, 2023
5VHD
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BU of 5vhd by Molmil
DHX36 with an N-terminal truncation bound to ADP-AlF4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DEAH (Asp-Glu-Ala-His) box polypeptide 36, TETRAFLUOROALUMINATE ION
Authors:Chen, M, Ferre-D'Amare, A.
Deposit date:2017-04-13
Release date:2018-06-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis of G-quadruplex unfolding by the DEAH/RHA helicase DHX36.
Nature, 558, 2018
5VHC
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BU of 5vhc by Molmil
DHX36 with an N-terminal truncation bound to ADP-BeF3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DEAH (Asp-Glu-Ala-His) box polypeptide 36, ...
Authors:Chen, M, Ferre-D'Amare, A.
Deposit date:2017-04-12
Release date:2018-06-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural basis of G-quadruplex unfolding by the DEAH/RHA helicase DHX36.
Nature, 558, 2018
5VHE
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BU of 5vhe by Molmil
DHX36 in complex with the c-Myc G-quadruplex
Descriptor: DEAH (Asp-Glu-Ala-His) box polypeptide 36, DNA (5'-D(*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*TP*TP*TP*TP*TP*T)-3'), POTASSIUM ION
Authors:Chen, M, Ferre-D'Amare, A.
Deposit date:2017-04-13
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.793 Å)
Cite:Structural basis of G-quadruplex unfolding by the DEAH/RHA helicase DHX36.
Nature, 558, 2018
8K3S
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BU of 8k3s by Molmil
Structure of PKD2-F604P complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, ...
Authors:Chen, M.Y, Su, Q, Wang, Z.F, Yu, Y.
Deposit date:2023-07-16
Release date:2024-04-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular and structural basis of the dual regulation of the polycystin-2 ion channel by small-molecule ligands.
Proc.Natl.Acad.Sci.USA, 121, 2024
1Y2A
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BU of 1y2a by Molmil
Structure of mammalian importin bound to the non-classical PLSCR1-NLS
Descriptor: Importin alpha-2 Subunit, decamer fragment of Phospholipid scramblase 1
Authors:Chen, M.-H, Ben-Efraim, I, Mitrousis, G, Walker-Kopp, N, Sims, P.J, Cingolani, G.
Deposit date:2004-11-22
Release date:2005-02-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Phospholipid Scramblase 1 Contains a Nonclassical Nuclear Localization Signal with Unique Binding Site in Importin alpha
J.Biol.Chem., 280, 2005
8HK7
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BU of 8hk7 by Molmil
Structure of PKD2-F604P (Polycystin-2, TRPP2) with ML-SA1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione, CALCIUM ION, ...
Authors:Chen, M.Y, Su, Q, Wang, Z.F, Yu, Y.
Deposit date:2022-11-25
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular and structural basis of the dual regulation of the polycystin-2 ion channel by small-molecule ligands.
Proc.Natl.Acad.Sci.USA, 121, 2024
4DBS
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BU of 4dbs by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3'-[(4-nitronaphthalen-1-yl)amino]benzoic acid
Descriptor: 3-[(4-nitronaphthalen-1-yl)amino]benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M.
Deposit date:2012-01-16
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer.
Bioorg.Med.Chem.Lett., 22, 2012
5B4E
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BU of 5b4e by Molmil
Sulfur Transferase TtuA in complex with iron sulfur cluster and ATP derivative
Descriptor: IRON/SULFUR CLUSTER, ISOPROPYL ALCOHOL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Chen, M, Narai, S, Tanaka, Y, Yao, M.
Deposit date:2016-04-03
Release date:2017-05-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Biochemical and structural characterization of oxygen-sensitive 2-thiouridine synthesis catalyzed by an iron-sulfur protein TtuA
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4DBU
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BU of 4dbu by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid
Descriptor: 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M.
Deposit date:2012-01-16
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.528 Å)
Cite:Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer.
Bioorg.Med.Chem.Lett., 22, 2012
4DBW
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BU of 4dbw by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin
Descriptor: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid
Authors:Chen, M, Christianson, D.W, Marnett, L.J, Penning, T.M.
Deposit date:2012-01-16
Release date:2013-03-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17 beta-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer.
J.Med.Chem., 56, 2013
5B4F
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BU of 5b4f by Molmil
Sulfur Transferase TtuA in complex with iron sulfur cluster
Descriptor: IRON/SULFUR CLUSTER, SULFATE ION, Sulfur Transferase TtuA, ...
Authors:Chen, M, Narai, S, Tanaka, Y, Yao, M.
Deposit date:2016-04-03
Release date:2017-05-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Biochemical and structural characterization of oxygen-sensitive 2-thiouridine synthesis catalyzed by an iron-sulfur protein TtuA
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3SY8
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BU of 3sy8 by Molmil
Crystal structure of the response regulator RocR
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, RocR
Authors:Chen, M.W, Kotaka, M, Vonrhein, C, Bricogne, G, Lescar, J.
Deposit date:2011-07-16
Release date:2012-07-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the regulatory mechanism of the response regulator RocR from Pseudomonas aeruginosa in cyclic Di-GMP signaling.
J.Bacteriol., 194, 2012
8HWN
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BU of 8hwn by Molmil
aldo-keto reductase DepB
Descriptor: CHLORIDE ION, DepB, SODIUM ION
Authors:Chen, M, Yang, H, Lu, F.
Deposit date:2022-12-31
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure of DepB capable of DON detoxification
To Be Published
3W9Z
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BU of 3w9z by Molmil
Crystal structure of DusC
Descriptor: FLAVIN MONONUCLEOTIDE, tRNA-dihydrouridine synthase C
Authors:Chen, M, Yu, J, Tanaka, Y, Tanaka, I, Yao, M.
Deposit date:2013-04-19
Release date:2013-07-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of dihydrouridine synthase C (DusC) from Escherichia coli
Acta Crystallogr.,Sect.F, 69, 2013
3UZX
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BU of 3uzx by Molmil
Crystal structure of 5beta-reductase (AKR1D1) E120H mutant in complex with NADP+ and epiandrosterone
Descriptor: (3Beta,5alpha)-3-Hydroxyandrostan-17-one, 3-oxo-5-beta-steroid 4-dehydrogenase, 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL, ...
Authors:Chen, M, Christianson, D.W, Penning, T.M.
Deposit date:2011-12-07
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.637 Å)
Cite:Conversion of Human Steroid 5beta-Reductase (AKR1D1) into 3β-Hydroxysteroid Dehydrogenase by Single Point Mutation E120H: EXAMPLE OF PERFECT ENZYME ENGINEERING.
J.Biol.Chem., 287, 2012
3UZZ
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BU of 3uzz by Molmil
Crystal structure of 5beta-reductase (AKR1D1) E120H mutant in complex with NADP+ and delta4-androstenedione
Descriptor: 3-oxo-5-beta-steroid 4-dehydrogenase, 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, ...
Authors:Chen, M, Christianson, D.W, Penning, T.M.
Deposit date:2011-12-07
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Conversion of Human Steroid 5beta-Reductase (AKR1D1) into 3β-Hydroxysteroid Dehydrogenase by Single Point Mutation E120H: EXAMPLE OF PERFECT ENZYME ENGINEERING.
J.Biol.Chem., 287, 2012

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