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8JPA
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BU of 8jpa by Molmil
De novo design cavitated protein without predefined topology
Descriptor: De novo design cavitated protein
Authors:Hu, X, Xu, Y.
Deposit date:2023-06-11
Release date:2023-06-28
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
8IVZ
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BU of 8ivz by Molmil
Crystal structure of talin R7 in complex with KANK1 KN motif
Descriptor: KN motif and ankyrin repeat domains 1, Talin-1
Authors:Xu, Y, Li, K, Wei, Z, Cong, Y.
Deposit date:2023-03-29
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation.
Cell Rep, 42, 2023
4LI2
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BU of 4li2 by Molmil
Crystal Structures of Lgr4 and its complex with R-spondin1
Descriptor: Leucine-rich repeat-containing G-protein coupled receptor 4, R-spondin-1
Authors:Xu, Y, Rajashankar, K, Robev, D.
Deposit date:2013-07-02
Release date:2013-08-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Crystal structures of lgr4 and its complex with R-spondin1.
Structure, 21, 2013
2NYL
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BU of 2nyl by Molmil
Crystal structure of Protein Phosphatase 2A (PP2A) holoenzyme with the catalytic subunit carboxyl terminus truncated
Descriptor: MANGANESE (II) ION, Protein phosphatase 2, regulatory subunit A (PR 65), ...
Authors:Xing, Y, Xu, Y, Chen, Y, Chao, Y, Lin, Z, Shi, Y.
Deposit date:2006-11-20
Release date:2006-12-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structure of the Protein Phosphatase 2A Holoenzyme.
Cell(Cambridge,Mass.), 127, 2006
2NYM
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BU of 2nym by Molmil
Crystal Structure of Protein Phosphatase 2A (PP2A) with C-terminus truncated catalytic subunit
Descriptor: MANGANESE (II) ION, Protein phosphatase 2, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform, ...
Authors:Chen, Y, Xing, Y, Xu, Y, Chao, Y, Lin, Z, Jeffrey, P.D, Shi, Y.
Deposit date:2006-11-21
Release date:2006-12-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structure of the Protein Phosphatase 2A Holoenzyme.
Cell(Cambridge,Mass.), 127, 2006
4LI1
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BU of 4li1 by Molmil
Crystal Structures of Lgr4 and its complex with R-spondin1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat-containing G-protein coupled receptor 4
Authors:Xu, Y, Rajashankar, K, Robev, D.
Deposit date:2013-07-02
Release date:2013-08-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.658 Å)
Cite:Crystal structures of lgr4 and its complex with R-spondin1.
Structure, 21, 2013
4M9R
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BU of 4m9r by Molmil
Crystal structure of CED-3
Descriptor: Cell death protein 3
Authors:Xu, Y, Jeffrey, P.D, Shi, Y.G.
Deposit date:2013-08-15
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.656 Å)
Cite:Mechanistic insights into CED-4-mediated activation of CED-3
Genes Dev., 27, 2013
1WP8
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BU of 1wp8 by Molmil
crystal structure of Hendra Virus fusion core
Descriptor: Fusion glycoprotein F0,Fusion glycoprotein F0
Authors:Xu, Y, Liu, Y, Lou, Z, Su, N, Bai, Z, Gao, G.F, Rao, Z.
Deposit date:2004-08-31
Release date:2005-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of Nipah and Hendra virus fusion core proteins
FEBS J., 273, 2006
6B6M
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BU of 6b6m by Molmil
Cyanase from Serratia proteamaculans
Descriptor: Cyanate hydratase
Authors:Xu, Y.
Deposit date:2017-10-02
Release date:2017-10-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:SIMBAD: a sequence-independent molecular-replacement pipeline.
Acta Crystallogr D Struct Biol, 74, 2018
5U8R
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BU of 5u8r by Molmil
Structure of the ectodomain of the human Type 1 insulin-like growth factor receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-MALATE, ...
Authors:Lawrence, M, Xu, Y.
Deposit date:2016-12-14
Release date:2018-02-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.00001621 Å)
Cite:How ligand binds to the type 1 insulin-like growth factor receptor.
Nat Commun, 9, 2018
5U8Q
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BU of 5u8q by Molmil
Structure of the ectodomain of the human Type 1 insulin-like growth factor receptor in complex with IGF-I
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-MALATE, ...
Authors:Lawrence, M, Xu, Y.
Deposit date:2016-12-14
Release date:2018-02-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.2710402 Å)
Cite:How ligand binds to the type 1 insulin-like growth factor receptor.
Nat Commun, 9, 2018
5Y8Y
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BU of 5y8y by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Song, M, Wang, C.
Deposit date:2017-08-21
Release date:2018-06-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
2LKH
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BU of 2lkh by Molmil
WSA minor conformation
Descriptor: Acetylcholine receptor
Authors:Xu, Y, Mowrey, D, Cui, T, Perez-Aguilar, J, Saven, J.G, Eckenhoff, R, Tang, P.
Deposit date:2011-10-11
Release date:2012-01-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structure and dynamics of a designed water-soluble transmembrane domain of nicotinic acetylcholine receptor.
Biochim.Biophys.Acta, 1818, 2011
2LKG
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BU of 2lkg by Molmil
WSA major conformation
Descriptor: Acetylcholine receptor
Authors:Xu, Y, Mowrey, D, Cui, T, Perez-Aguilar, J.M, Saven, J.G, Eckenhoff, R, Tang, P.
Deposit date:2011-10-11
Release date:2012-01-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structure and dynamics of a designed water-soluble transmembrane domain of nicotinic acetylcholine receptor.
Biochim.Biophys.Acta, 1818, 2011
6IUP
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BU of 6iup by Molmil
Crystal structure of FGFR4 kinase domain in complex with compound 5
Descriptor: DIMETHYL SULFOXIDE, Fibroblast growth factor receptor 4, N-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide
Authors:Xu, Y, Liu, Q.
Deposit date:2018-11-29
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
6IUO
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BU of 6iuo by Molmil
Crystal structure of FGFR4 kinase domain in complex with a covalent inhibitor
Descriptor: Fibroblast growth factor receptor 4, N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide
Authors:Xu, Y, Liu, Q.
Deposit date:2018-11-29
Release date:2019-10-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
6ITJ
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BU of 6itj by Molmil
Crystal structure of FGFR1 kinase domain in complex with compound 3
Descriptor: 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one, Fibroblast growth factor receptor 1
Authors:Xu, Y, Liu, Q.
Deposit date:2018-11-23
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
6ICX
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BU of 6icx by Molmil
Crystal structure of H7 hemagglutinin mutant AH-AGPL (V186G) from the influenza virus A/Anhui/1/2013 (H7N9)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
Authors:Gao, G.F, Xu, Y, Qi, J.X.
Deposit date:2018-09-07
Release date:2019-11-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6ID9
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BU of 6id9 by Molmil
Crystal structure of H7 hemagglutinin mutant H7-SGTL ( A138S, V186G, P221T) from the influenza virus A/Anhui/1/2013 (H7N9)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
Authors:Gao, G.F, Xu, Y, Qi, J.X.
Deposit date:2018-09-09
Release date:2019-11-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6ICW
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BU of 6icw by Molmil
Crystal structure of H7 hemagglutinin mutant AH-SGTQ (A138S, V186G, P221T and L226Q) from the influenza virus A/Anhui/1/2013 (H7N9)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
Authors:Gao, G.F, Xu, Y.
Deposit date:2018-09-07
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6ID2
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BU of 6id2 by Molmil
Crystal structure of H7 hemagglutinin mutant H7-AVTL (P221T) from the influenza virus A/Anhui/1/2013 (H7N9)
Descriptor: Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
Authors:Gao, G.F, Xu, Y, Qi, J.X.
Deposit date:2018-09-08
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
8HDU
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BU of 8hdu by Molmil
De novo design cavitated protein without predefined topology
Descriptor: De novo design cavitated protein
Authors:Hu, X, Xu, Y.
Deposit date:2022-11-06
Release date:2023-01-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
8HDV
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BU of 8hdv by Molmil
De novo design cavitated protein without predefined topology
Descriptor: De novo design cavitated protein
Authors:Hu, X, Xu, Y.
Deposit date:2022-11-06
Release date:2023-01-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
6ICY
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BU of 6icy by Molmil
Crystal structure of H7 hemagglutinin mutant H7-AGTL ( V186G, P221T) from the influenza virus A/Anhui/1/2013 (H7N9)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
Authors:Gao, G.F, Xu, Y, Qi, J.X.
Deposit date:2018-09-07
Release date:2019-11-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6IDB
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BU of 6idb by Molmil
Crystal structure of H7 hemagglutinin mutant H7-SVTQ ( A138S, P221T, L226Q) with 6'SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
Authors:Gao, G.F, Xu, Y, Qi, J.X.
Deposit date:2018-09-09
Release date:2019-11-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019

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PDB entries from 2024-10-30

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