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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
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
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
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
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
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
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
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
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
5GHA
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BU of 5gha by Molmil
Sulfur Transferase TtuA in complex with Sulfur Carrier TtuB
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Sulfur Carrier TtuB, ...
Authors:Chen, M, Narai, S, Tanaka, Y, Yao, M.
Deposit date:2016-06-19
Release date:2017-05-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.502 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
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
8HNQ
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BU of 8hnq by Molmil
The structure of a alcohol dehydrogenase AKR13B2 with NADP
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Chen, M, Yang, H, Lu, F.
Deposit date:2022-12-08
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of AKR13B2
To Be Published
8HW0
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BU of 8hw0 by Molmil
the structure of AKR6D1
Descriptor: GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-dependent aldo/keto reductase AKR6D1
Authors:Chen, M, Yang, H.
Deposit date:2022-12-28
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:structure of AKR6D1
To Be Published
5X6C
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BU of 5x6c by Molmil
Crystal structure of SepRS-SepCysE from Methanocaldococcus jannaschii
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, O-phosphoserine--tRNA(Cys) ligase, SULFATE ION, ...
Authors:Chen, M, Kato, K, Yao, M.
Deposit date:2017-02-21
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Structural basis for tRNA-dependent cysteine biosynthesis
Nat Commun, 8, 2017
5X6B
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BU of 5x6b by Molmil
Crystal structure of SepCysE-SepCysS in complex with tRNACys from Methanocaldococcus jannaschii
Descriptor: O-phospho-L-seryl-tRNA:Cys-tRNA synthase, Uncharacterized protein MJ1481, tRNACys
Authors:Chen, M, Kato, K, Yao, M.
Deposit date:2017-02-21
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Structural basis for tRNA-dependent cysteine biosynthesis
Nat Commun, 8, 2017
4KUX
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BU of 4kux by Molmil
Crystal structure of Aspergillus terreus aristolochene synthase complexed with farnesyl thiolodiphosphate (FSPP)
Descriptor: Aristolochene synthase, GLYCEROL, MAGNESIUM ION, ...
Authors:Chen, M, Faraldos, J.A, Al-lami, N, Janvier, M, D'Antonio, E.L, Cane, D.E, Allemann, R.K, Christianson, D.W.
Deposit date:2013-05-22
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
4KVY
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BU of 4kvy by Molmil
Crystal structure of Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium
Descriptor: (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ...
Authors:Chen, M, Al-lami, N, Janvier, M, D'Antonio, E.L, Faraldos, J.A, Cane, D.E, Allemann, R.K, Christianson, D.W.
Deposit date:2013-05-23
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
4KVI
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BU of 4kvi by Molmil
Crystal structure of Aspergillus terreus aristolochene synthase complexed with (4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolin-1-ium
Descriptor: (4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolinium, Aristolochene synthase, MAGNESIUM ION, ...
Authors:Chen, M, Faraldos, J.A, Al-lami, N, Janvier, M, D'Antonio, E.L, Cane, D.E, Allemann, R.K, Christianson, D.W.
Deposit date:2013-05-22
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
4KVW
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BU of 4kvw by Molmil
Crystal structure of Aspergillus terreus aristolochene synthase complexed with (3R,6R,9aR)-6,9a-dimethyl-3-(prop-1-en-2-yl)decahydroquinolizin-5-ium
Descriptor: (3R,5S,6R,9aR)-6,9a-dimethyl-3-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ...
Authors:Chen, M, Al-lami, N, Janvier, M, D'Antonio, E.L, Faraldos, J.A, Cane, D.E, Allemann, R.K, Christianson, D.W.
Deposit date:2013-05-23
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
4KVD
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BU of 4kvd by Molmil
Crystal structure of Aspergillus terreus aristolochene synthase complexed with (4aS,7S)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolin-1-ium
Descriptor: (1R,4aS,7S,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium, Aristolochene synthase, GLYCEROL, ...
Authors:Chen, M, Faraldos, J.A, Al-lami, N, Janvier, M, D'Antonio, E.L, Cane, D.E, Allemann, R.K, Christianson, D.W.
Deposit date:2013-05-22
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
4KWD
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BU of 4kwd by Molmil
Crystal structure of Aspergillus terreus aristolochene synthase complexed with (1R,8R,9aS)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium
Descriptor: (1R,5R,8R,9aS)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ...
Authors:Chen, M, Al-lami, N, Janvier, M, D'Antonio, E.L, Faraldos, J.A, Cane, D.E, Allemann, R.K, Christianson, D.W.
Deposit date:2013-05-23
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.857 Å)
Cite:Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
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
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
8SOI
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BU of 8soi by Molmil
Structure of human ULK1 complex core (2:1:1 stoichiometry)
Descriptor: Autophagy-related protein 13, RB1-inducible coiled-coil protein 1, Serine/threonine-protein kinase ULK1
Authors:Chen, M, Hurley, J.H.
Deposit date:2023-04-28
Release date:2023-06-21
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure and activation of the human autophagy-initiating ULK1C:PI3KC3-C1 supercomplex
bioRxiv, 2023

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数据于2024-05-29公开中

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