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6LIL
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BU of 6lil by Molmil
Crystal structure of human PDK2 complexed with an allosteric inhibitor compound 8c
Descriptor: 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kang, J, Kim, J.
Deposit date:2019-12-12
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural basis for the inhibition of PDK2 by novel ATP- and lipoyl-binding site targeting compounds.
Biochem.Biophys.Res.Commun., 527, 2020
6MD4
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BU of 6md4 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Rosiglitazone and Oleic acid
Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), OLEIC ACID, ...
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6MD1
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BU of 6md1 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Oleic acid
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, OLEIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6MCZ
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BU of 6mcz by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Arachidonic Acid
Descriptor: ARACHIDONIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
4EQE
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BU of 4eqe by Molmil
Crystal structure of histidine triad nucleotide-binding protein 1 (HINT1) from human complexed with Lys-AMS
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2012-04-18
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Side chain independent recognition of aminoacyl adenylates by the hint1 transcription suppressor.
J.Phys.Chem.B, 116, 2012
4EQH
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BU of 4eqh by Molmil
Crystal structure of histidine triad nucleotide-binding protein 1 (HINT1) from human complexed with Trp-AMS
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(L-TRYPTOPHYLAMINO)SULFONYL]ADENOSINE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2012-04-18
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.668 Å)
Cite:Side chain independent recognition of aminoacyl adenylates by the hint1 transcription suppressor.
J.Phys.Chem.B, 116, 2012
8XHO
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BU of 8xho by Molmil
Deep sea bacterial PET plastic hydrolase MtCut with mutation S178C
Descriptor: CALCIUM ION, PET plastic hydrolase
Authors:Yang, J.
Deposit date:2023-12-18
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Deep sea bacterial PET plastic hydrolase MtCut with mutation S178C
To Be Published
8ZKC
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BU of 8zkc by Molmil
iron-sulfur cluster transfer protein ApbC
Descriptor: GLYCEROL, Iron-sulfur cluster carrier protein, MAGNESIUM ION
Authors:Yang, J, Liu, L.
Deposit date:2024-05-16
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of the iron-sulfur cluster transfer protein ApbC from Escherichia coli.
Biochem.Biophys.Res.Commun., 722, 2024
8XBD
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BU of 8xbd by Molmil
GH18 family chitinase from cold seep metagenome
Descriptor: GH18 chitinase-like superfamily protein
Authors:Yang, J.
Deposit date:2023-12-06
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:GH18 family chitinase from cold seep metagenome
To Be Published
5H73
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BU of 5h73 by Molmil
Crystal structure of human DHODH with 18F
Descriptor: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Huang, J, Wu, D.
Deposit date:2016-11-16
Release date:2017-07-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of human DHODH with 18F at 1.58 Angstroms resolution
To Be Published
5HIN
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BU of 5hin by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18L compound
Descriptor: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Huang, J, Wu, D, Lu, Q, Yao, X.
Deposit date:2016-01-12
Release date:2016-07-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18L at 1.60 A resolution
To Be Published
5HM2
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BU of 5hm2 by Molmil
Crystal structure of the 3C protease from South African Territories type 2 foot-and-mouth disease virus
Descriptor: 3C proteinase
Authors:Yang, J, Leen, E.N, Curry, S.
Deposit date:2016-01-15
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the 3C protease from Southern African Territories type 2 foot-and-mouth disease virus.
Peerj, 4, 2016
5IAY
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BU of 5iay by Molmil
NMR structure of UHRF1 Tandem Tudor Domains in a complex with Spacer peptide
Descriptor: E3 ubiquitin-protein ligase UHRF1, Spacer
Authors:Fang, J, Cheng, J, Wang, J, Zhang, Q, Liu, M, Gong, R, Wang, P, Zhang, X, Feng, Y, Lan, W, Gong, Z, Tang, C, Wong, J, Yang, H, Cao, C, Xu, Y.
Deposit date:2016-02-22
Release date:2016-04-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Hemi-methylated DNA opens a closed conformation of UHRF1 to facilitate its histone recognition
Nat Commun, 7, 2016
5HQE
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BU of 5hqe by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with compound 18T
Descriptor: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Huang, J, Wu, D, Lu, Q.
Deposit date:2016-01-21
Release date:2016-07-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18T at 1.62 A resolution
To Be Published
7TO4
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BU of 7to4 by Molmil
Structural and functional impact by SARS-CoV-2 Omicron spike mutations
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
Deposit date:2022-01-22
Release date:2022-02-16
Last modified:2022-05-11
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural and functional impact by SARS-CoV-2 Omicron spike mutations.
Cell Rep, 39, 2022
7TNW
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BU of 7tnw by Molmil
Structural and functional impact by SARS-CoV-2 Omicron spike mutations
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
Deposit date:2022-01-21
Release date:2022-02-16
Last modified:2022-05-11
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural and functional impact by SARS-CoV-2 Omicron spike mutations.
Cell Rep, 39, 2022
8EJM
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BU of 8ejm by Molmil
Crystal structure of human DEAH-box helicase DHX15 in complex with SUGP1 G-patch
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DHX15, CHLORIDE ION, ...
Authors:Huang, J, Tong, L.
Deposit date:2022-09-17
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:DHX15 is involved in SUGP1-mediated RNA missplicing by mutant SF3B1 in cancer.
Proc.Natl.Acad.Sci.USA, 119, 2022
6M12
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BU of 6m12 by Molmil
Crystal Structure of Rnase L in complex with SU11652
Descriptor: 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, PHOSPHATE ION, Ribonuclease L, ...
Authors:Tang, J, Huang, H.
Deposit date:2020-02-24
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Sunitinib inhibits RNase L by destabilizing its active dimer conformation.
Biochem.J., 477, 2020
4ZL1
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BU of 4zl1 by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18X at 1.86 A resolution
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Huang, J, Wu, D, Ouyang, P, Lu, W, Pu, J.
Deposit date:2015-05-01
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18XYW at 1.86 A resolution
To Be Published
6M13
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BU of 6m13 by Molmil
Crystal structure of Rnase L in complex with Toceranib
Descriptor: 5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide, PHOSPHATE ION, Ribonuclease L, ...
Authors:Tang, J, Huang, H.
Deposit date:2020-02-24
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Sunitinib inhibits RNase L by destabilizing its active dimer conformation.
Biochem.J., 477, 2020
8D56
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BU of 8d56 by Molmil
One RBD-up state of SARS-CoV-2 BA.2 variant spike protein
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Tang, W.C, Gao, H.L, Shi, W, Peng, H.Q, Volloch, S.R, Xiao, T.S, Chen, B.
Deposit date:2022-06-04
Release date:2023-06-07
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural and functional characteristics of the SARS-CoV-2 Omicron subvariant BA.2 spike protein.
Nat.Struct.Mol.Biol., 30, 2023
8D55
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BU of 8d55 by Molmil
Closed state of SARS-CoV-2 BA.2 variant spike protein
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Tang, W.C, Gao, H.L, Shi, W, Peng, H.Q, Volloch, S.R, Xiao, T.S, Chen, B.
Deposit date:2022-06-04
Release date:2023-06-07
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural and functional characteristics of the SARS-CoV-2 Omicron subvariant BA.2 spike protein.
Nat.Struct.Mol.Biol., 30, 2023
8D5A
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BU of 8d5a by Molmil
Middle state of SARS-CoV-2 BA.2 variant spike protein
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Tang, W.C, Gao, H.L, Shi, W, Peng, H.Q, Volloch, S.R, Xiao, T.S, Chen, B.
Deposit date:2022-06-04
Release date:2023-06-07
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural and functional characteristics of the SARS-CoV-2 Omicron subvariant BA.2 spike protein.
Nat.Struct.Mol.Biol., 30, 2023
4ZK1
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BU of 4zk1 by Molmil
Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein (LsAChBP) in Complex with 3-Pyrrolylmethylene Anabaseine
Descriptor: (3E)-3-(1H-pyrrol-3-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine, Acetylcholine-binding protein, PHOSPHATE ION
Authors:Bobango, J, Wu, J, Talley, T.T.
Deposit date:2015-04-29
Release date:2015-05-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein (LsAChBP) in Complex with 3-Pyrrolylmethylene Anabaseine
To be Published
4ZK4
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BU of 4zk4 by Molmil
Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with 7-(5-isopropoxy-pyridin-3-yl)-1-methyl-1,7-diaza-spiro[4.4]nonane
Descriptor: (5R)-1-methyl-7-[5-(propan-2-yloxy)pyridin-3-yl]-1,7-diazaspiro[4.4]nonane, MAGNESIUM ION, SULFATE ION, ...
Authors:Bobango, J, Wu, J, Talley, T.T.
Deposit date:2015-04-29
Release date:2015-05-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with 7-(5-isopropoxy-pyridin-3-yl)-1-methyl-1,7-diaza-spiro[4.4]nonane.
To be Published

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