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7OPB
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BU of 7opb by Molmil
IL7R in complex with an antagonist
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IL7R binder, ...
著者Markovic, I, Verschueren, K.H.G, Verstraete, K, Savvides, S.N.
登録日2021-05-31
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.144 Å)
主引用文献Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
7JZL
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BU of 7jzl by Molmil
SARS-CoV-2 spike in complex with LCB1 (2RBDs open)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LCB1, ...
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-02
公開日2020-09-23
最終更新日2020-11-04
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
7JZN
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BU of 7jzn by Molmil
SARS-CoV-2 spike in complex with LCB3 (2RBDs open)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LCB3, ...
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-02
公開日2020-09-23
最終更新日2020-11-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
7JZM
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BU of 7jzm by Molmil
SARS-CoV-2 spike in complex with LCB3 (local refinement of the RBD and LCB3)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, LCB3, Spike glycoprotein
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-02
公開日2020-09-23
最終更新日2020-11-04
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
7JZU
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BU of 7jzu by Molmil
SARS-CoV-2 spike in complex with LCB1 (local refinement of the RBD and LCB1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, LCB1, Spike glycoprotein
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-02
公開日2020-09-23
最終更新日2020-11-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
7RDH
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BU of 7rdh by Molmil
Crystal structure of the de novo designed binding protein H3mb in complex with the 1968 influenza A virus hemagglutinin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, De novo designed protein H3mb, ...
著者Kadam, R.U, Wilson, I.A.
登録日2021-07-09
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
6MAR
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BU of 6mar by Molmil
HIV-1 Envelope Glycoprotein Clone BG505 delCT N332T in complex with broadly neutralizing antibody Fab PGT151
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
著者Berndsen, Z.T, Ward, A.B.
登録日2018-08-28
公開日2018-09-26
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Differential processing of HIV envelope glycans on the virus and soluble recombinant trimer.
Nat Commun, 9, 2018
6JFP
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BU of 6jfp by Molmil
Crystal structure of the beta-glucosidase Bgl15
分子名称: beta-D-glucopyranose, beta-glucosidase 15
著者Xie, W, Chen, R.
登録日2019-02-11
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Engineering of beta-Glucosidase Bgl15 with Simultaneously Enhanced Glucose Tolerance and Thermostability To Improve Its Performance in High-Solid Cellulose Hydrolysis.
J.Agric.Food Chem., 68, 2020
4BW5
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BU of 4bw5 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CADMIUM ION, POTASSIUM CHANNEL SUBFAMILY K MEMBER 10, ...
著者Pike, A.C.W, Dong, Y.Y, Dong, L, Quigley, A, Shrestha, L, Mukhopadhyay, S, Strain-Damerell, C, Goubin, S, Grieben, M, Shintre, C.A, Mackenzie, A, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N, Carpenter, E.P.
登録日2013-06-30
公開日2013-07-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献K2P Channel Gating Mechanisms Revealed by Structures of Trek-2 and a Complex with Prozac
Science, 347, 2015
5OD4
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BU of 5od4 by Molmil
Avr2 effector protein from the fungal plant pathogen Fusarium oxysporum
分子名称: 1,2-ETHANEDIOL, Secreted in xylem 3
著者Hughes, R.K, Banfield, M.J.
登録日2017-07-04
公開日2017-08-16
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure-function analysis of the Fusarium oxysporum Avr2 effector allows uncoupling of its immune-suppressing activity from recognition.
New Phytol., 216, 2017
6DNE
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BU of 6dne by Molmil
Crystal structure of human Bromodomain-containing protein 4 (BRD4) bromodomain with MS660
分子名称: Bromodomain-containing protein 4, N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
著者Ren, C, Zhou, M.M.
登録日2018-06-06
公開日2018-07-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.958 Å)
主引用文献Spatially constrained tandem bromodomain inhibition bolsters sustained repression of BRD4 transcriptional activity for TNBC cell growth.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DJC
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BU of 6djc by Molmil
Crystal structure of human Bromodomain-containing protein 4 (BRD4) bromodomain with MS645
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,N'-(decane-1,10-diyl)bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
著者Ren, C, Zhou, M.M.
登録日2018-05-25
公開日2018-07-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Spatially constrained tandem bromodomain inhibition bolsters sustained repression of BRD4 transcriptional activity for TNBC cell growth.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4XDK
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BU of 4xdk by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with norfluoxetine
分子名称: (3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Pike, A.C.W, Dong, Y.Y, Mackenzie, A, Mukhopadhyay, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2014-12-19
公開日2015-03-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
4XDL
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BU of 4xdl by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with a brominated fluoxetine derivative.
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-N-methyl-3-phenyl-propan-1-amine, CADMIUM ION, ...
著者Mackenzie, A, Pike, A.C.W, Dong, Y.Y, Mukhopadhyay, S, Ruda, G.F, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2014-12-19
公開日2015-03-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
4XDJ
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BU of 4xdj by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in an alternate conformation (FORM 2)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, POTASSIUM CHANNEL SUBFAMILY K MEMBER 10, POTASSIUM ION, ...
著者Pike, A.C.W, Dong, Y.Y, Mackenzie, A, Mukhopadhyay, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2014-12-19
公開日2015-03-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
6Q1X
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BU of 6q1x by Molmil
Lasso peptide pandonodin
分子名称: Pandonodin
著者Link, A.J, Cheung-Lee, W.L.
登録日2019-08-06
公開日2019-12-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Pandonodin: A Proteobacterial Lasso Peptide with an Exceptionally Long C-Terminal Tail.
Acs Chem.Biol., 14, 2019
5F6L
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BU of 5f6l by Molmil
The crystal structure of MLL1 (N3861I/Q3867L) in complex with RbBP5 and Ash2L
分子名称: Histone-lysine N-methyltransferase 2A, Retinoblastoma-binding protein 5, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Li, Y, Lei, M, Chen, Y.
登録日2015-12-06
公開日2016-02-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
5F59
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BU of 5f59 by Molmil
The crystal structure of MLL3 SET domain
分子名称: Histone-lysine N-methyltransferase 2C, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Li, Y, Lei, M, Chen, Y.
登録日2015-12-04
公開日2016-02-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
5F5E
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BU of 5f5e by Molmil
The Crystal Structure of MLL1 SET domain with N3816I/Q3867L mutation
分子名称: Histone-lysine N-methyltransferase 2A, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Li, Y, Lei, M, Chen, Y.
登録日2015-12-04
公開日2016-02-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
5F6K
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BU of 5f6k by Molmil
Crystal structure of the MLL3-Ash2L-RbBP5 complex
分子名称: Histone-lysine N-methyltransferase 2C, Retinoblastoma-binding protein 5, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Li, Y, Lei, M, Chen, Y.
登録日2015-12-06
公開日2016-02-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.411 Å)
主引用文献Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
6D2P
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BU of 6d2p by Molmil
Crystal structure of IOMA-class CLK31 Fab from an HIV-1 naive donor in complex with a germline-targeting gp120 engineered outer domain eOD-GT8 at 2.6 A
分子名称: GLYCEROL, Germline-targeting HIV-1 gp120 engineered outer domain eOD-GT8, IOMAclass naive CLK31 Fab heavy chain, ...
著者Sarkar, A, Wilson, I.A.
登録日2018-04-13
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The human naive B cell repertoire contains distinct subclasses for a germline-targeting HIV-1 vaccine immunogen.
Sci Transl Med, 10, 2018
7KUW
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BU of 7kuw by Molmil
High-throughput design and refinement of stable proteins using sequence-only models
分子名称: Sequence-Based Designed Protein nmt_0994_guided_02
著者Bera, A.K, Stewart, L, Kang, A.S, Baker, D.
登録日2020-11-25
公開日2021-12-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Large-scale design and refinement of stable proteins using sequence-only models.
Plos One, 17, 2022
8JAH
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BU of 8jah by Molmil
Crystal structure of human CLEC12A C-type lectin domain
分子名称: C-type lectin domain family 12 member A, POTASSIUM ION, SULFATE ION
著者Lei, Q, Tang, H, Dong, X.
登録日2023-05-06
公開日2024-03-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Mechanistic insights into the C-type lectin receptor CLEC12A-mediated immune recognition of monosodium urate crystal.
J.Biol.Chem., 300, 2024
5H4B
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BU of 5h4b by Molmil
Crystal structure of Cbln4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-4
著者Zhong, C, Shen, J, Zhang, H, Ding, J.
登録日2016-10-31
公開日2017-09-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
5DZN
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BU of 5dzn by Molmil
human T-cell immunoglobulin and mucin domain protein 4
分子名称: T-cell immunoglobulin and mucin domain-containing protein 4
著者Yuan, S, Rao, Z, Wang, X.
登録日2015-09-25
公開日2015-11-25
最終更新日2016-02-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献TIM-1 acts a dual-attachment receptor for Ebolavirus by interacting directly with viral GP and the PS on the viral envelope.
Protein Cell, 6, 2015

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