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6AGK
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BU of 6agk by Molmil
The structure of CH-II-77-tubulin complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Chen, H, Arnst, K, Wang, Y, Miller, D, Li, W.
Deposit date:2018-08-13
Release date:2019-08-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Activity Relationship Study of Novel 6-Aryl-2-benzoyl-pyridines as Tubulin Polymerization Inhibitors with Potent Antiproliferative Properties.
J.Med.Chem., 63, 2020
7V3L
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BU of 7v3l by Molmil
MERS S ectodomain trimer in complex with neutralizing antibody 6516
Descriptor: Spike glycoprotein, antibody H, antibody L
Authors:Wang, X, Zhao, J, Wang, Z, Wang, Y, Zeng, J.
Deposit date:2021-08-10
Release date:2022-08-17
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:MERS S ectodomain trimer in complex with neutralizing antibody 6516
to be published
6BS2
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BU of 6bs2 by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 8b
Descriptor: 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Kumar, G, Wang, Y, Li, W, White, S.W.
Deposit date:2017-12-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
6BRY
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BU of 6bry by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 6a
Descriptor: 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Kumar, G, Wang, Y, Li, W, White, S.W.
Deposit date:2017-12-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
6BR1
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BU of 6br1 by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4a
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine, CALCIUM ION, ...
Authors:Kumar, G, Wang, Y, Li, W, White, S.W.
Deposit date:2017-11-29
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
2KFB
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BU of 2kfb by Molmil
The structure of the cataract causing P23T mutant of human gamma-D crystallin
Descriptor: Gamma-crystallin D
Authors:Jung, J, Byeon, I.L, Wang, Y, King, J, Gronenborn, A.M.
Deposit date:2009-02-12
Release date:2009-07-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The structure of the cataract-causing P23T mutant of human gammaD-crystallin exhibits distinctive local conformational and dynamic changes.
Biochemistry, 48, 2009
6BRF
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BU of 6brf by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4b
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine, CALCIUM ION, ...
Authors:Kumar, G, Wang, Y, Li, W, White, S.W.
Deposit date:2017-11-30
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
7CZ5
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BU of 7cz5 by Molmil
Cryo-EM structure of the human growth hormone-releasing hormone receptor-Gs protein complex
Descriptor: CHOLESTEROL, Growth hormone-releasing hormone receptor,growth hormone-releasing hormone receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhou, F, Zhang, H, Cong, Z, Zhao, L, Zhou, Q, Mao, C, Cheng, X, Shen, D, Cai, X, Ma, C, Wang, Y, Dai, A, Zhou, Y, Sun, W, Zhao, F, Zhao, S, Jiang, H, Jiang, Y, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
Deposit date:2020-09-07
Release date:2020-11-18
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis for activation of the growth hormone-releasing hormone receptor.
Nat Commun, 11, 2020
7V6N
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BU of 7v6n by Molmil
MERS S ectodomain trimer in complex with neutralizing antibody 111 state1
Descriptor: 111 H, 111 L, Spike glycoprotein
Authors:Wang, X, Zhao, J, Wang, Z, Zeng, J, Zhang, S, Wang, Y.
Deposit date:2021-08-20
Release date:2022-09-14
Method:ELECTRON MICROSCOPY (3.99 Å)
Cite:MERS S ectodomain trimer in complex with neutralizing antibody 111 state1
to be published
7V6O
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BU of 7v6o by Molmil
MERS S ectodomain trimer in complex with neutralizing antibody 111 (state 2)
Descriptor: 111 H, 111 L, Spike glycoprotein
Authors:Wang, X, Zhao, J, Wang, Z, Zeng, J, Zhang, S, Wang, Y.
Deposit date:2021-08-20
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (4.56 Å)
Cite:MERS S ectodomain trimer in complex with neutralizing antibody 111 (state 2)
to be published
2HVX
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BU of 2hvx by Molmil
Discovery of Potent, Orally Active, Nonpeptide Inhibitors of Human Mast Cell Chymase by Using Structure-Based Drug Design
Descriptor: Chymase, [(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID
Authors:Greco, M.N, Hawkins, M.J, Powell, E.T, Almond, H.R, de Garavilla, L, Wang, Y, Minor, L.A, Wells, G.I, Di Cera, E, Cantwell, A.M, Savvides, S.N, Damiano, B.P, Maryanoff, B.E.
Deposit date:2006-07-31
Release date:2007-06-12
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of potent, selective, orally active, nonpeptide inhibitors of human mast cell chymase.
J.Med.Chem., 50, 2007
2LF0
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BU of 2lf0 by Molmil
Solution structure of sf3636, a two-domain unknown function protein from Shigella flexneri 2a, determined by joint refinement of NMR, residual dipolar couplings and small-angle X-ray scattering, NESG target SfR339/OCSP target sf3636
Descriptor: Uncharacterized protein yibL
Authors:Wu, B, Lemak, A, Yee, A, Lee, H, Gutmanas, A, Semesi, A, Garcia, M, Fang, X, Wang, Y, Prestegard, J.H, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP)
Deposit date:2011-06-27
Release date:2011-07-13
Last modified:2024-05-15
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:Solution structure of sf3636, a two-domain unknown function protein from Shigella flexneri 2a, determined by joint refinement of NMR, residual dipolar couplings and small-angle X-ray scattering
To be Published
8HNS
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BU of 8hns by Molmil
Crystal structure of an anti-CRISPR protein AcrIIC4 in apo form
Descriptor: GLYCEROL, anti-CRISPR protein AcrIIC4
Authors:Sun, W, Cheng, Z, Yang, J, Wang, Y.
Deposit date:2022-12-08
Release date:2023-07-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HNW
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BU of 8hnw by Molmil
Crystal structure of HpaCas9-sgRNA surveillance complex bound to double-stranded DNA
Descriptor: CRISPR-associated endonuclease Cas9, Non-target strand, Target strand, ...
Authors:Sun, W, Cheng, Z, Wang, Y.
Deposit date:2022-12-08
Release date:2023-07-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HNT
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BU of 8hnt by Molmil
Crystal structure of anti-CRISPR protein AcrIIC4 bound to HpaCas9-sgRNA surveillance complex
Descriptor: CRISPR-associated endonuclease Cas9, anti-CRISPR protein AcrIIC4, sgRNA
Authors:Sun, W, Cheng, Z, Wang, Y.
Deposit date:2022-12-08
Release date:2023-07-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
6LWU
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BU of 6lwu by Molmil
Complex of Gynuella sunshinyii GH46 chitosanase GsCsn46A E19A with chitopentaose
Descriptor: 2-amino-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, chitosanase
Authors:Qin, Z, Wang, Y.
Deposit date:2020-02-09
Release date:2021-02-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.419 Å)
Cite:Complex of Gynuella sunshinyii GH46 chitosanase GsCsn46A E19A with chitopentaose
To Be Published
6NOC
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BU of 6noc by Molmil
Crystal structure of FBF-2 repeat 5 mutant (C363A, R364Y) in complex with 8-nt RNA
Descriptor: Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*GP*UP*AP*AP*AP*UP*A)-3')
Authors:McCann, K, Wang, Y, Qiu, C, Hall, T.M.T.
Deposit date:2019-01-16
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.849 Å)
Cite:Engineering a conserved RNA regulatory protein repurposes its biological function in vivo .
Elife, 8, 2019
6NOH
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BU of 6noh by Molmil
Crystal structure of FBF-2 repeat 5 mutant (C363S, R364Y, Q367S) in complex with 8-nt RNA
Descriptor: 1,2-ETHANEDIOL, Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*GP*UP*AP*AP*AP*UP*A)-3')
Authors:McCann, K.L, Wang, Y, Qiu, C, Hall, T.M.T.
Deposit date:2019-01-16
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Engineering a conserved RNA regulatory protein repurposes its biological function in vivo .
Elife, 8, 2019
6NOF
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BU of 6nof by Molmil
Crystal structure of FBF-2 repeat 5 mutant (C363A, R364Y, Q367S) in complex with 8-nt RNA
Descriptor: 1,2-ETHANEDIOL, Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*GP*UP*AP*AP*AP*UP*A)-3')
Authors:McCann, K.L, Wang, Y, Qiu, C, Hall, T.M.T.
Deposit date:2019-01-16
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Engineering a conserved RNA regulatory protein repurposes its biological function in vivo .
Elife, 8, 2019
5XG7
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BU of 5xg7 by Molmil
Galectin-13/Placental Protein 13 crystal structure
Descriptor: Galactoside-binding soluble lectin 13
Authors:Su, J.Y, Wang, Y.
Deposit date:2017-04-12
Release date:2018-01-31
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138
Sci Rep, 8, 2018
8H0O
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BU of 8h0o by Molmil
Crystal structure of human serum albumin and ruthenium PZA complex adduct
Descriptor: Albumin, CHLORIDE ION, NITRIC OXIDE, ...
Authors:Gong, W.J, Wang, Y, Bai, H.H, Wang, W.M, Wang, H.F.
Deposit date:2022-09-30
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.479 Å)
Cite:Crystal structure of human serum albumin and ruthenium PZA complex adduct
To Be Published
8JDI
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BU of 8jdi by Molmil
Crystal structure of Cas7-AcrIF25 complex
Descriptor: AcrIF25, CRISPR-associated protein Csy3
Authors:Yang, J, Wang, J, Wang, Y.
Deposit date:2023-05-14
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.372 Å)
Cite:Crystal structure of Cas7-AcrIF25 complex
To Be Published
8JDH
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BU of 8jdh by Molmil
Crystal structure of anti-CRISPR AcrIF25
Descriptor: AcrIF25
Authors:Yang, J, Wang, J, Wang, Y.
Deposit date:2023-05-14
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of anti-CRISPR AcrIF25
To Be Published
7VI6
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BU of 7vi6 by Molmil
Crystal structure of GH3 beta-N-acetylhexosaminidase Amuc_2109 from Akkermansia muciniphila
Descriptor: Beta-N-acetylhexosaminidase, CHLORIDE ION, MAGNESIUM ION
Authors:Qian, K, Yang, W, Chen, X, Wang, Y, Zhang, M, Wang, M.
Deposit date:2021-09-26
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional and structural characterization of a GH3 beta-N-acetylhexosaminidase from Akkermansia muciniphila involved in mucin degradation
Biochem.Biophys.Res.Commun., 589, 2022
7VI7
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BU of 7vi7 by Molmil
Crystal structure of GH3 beta-N-acetylhexosaminidase Amuc_2109 from Akkermansia muciniphila in complex with GlcNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
Authors:Qian, K, Yang, W, Chen, X, Wang, Y, Zhang, M, Wang, M.
Deposit date:2021-09-26
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional and structural characterization of a GH3 beta-N-acetylhexosaminidase from Akkermansia muciniphila involved in mucin degradation
Biochem.Biophys.Res.Commun., 589, 2022

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数据于2024-07-10公开中

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