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5WRW
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BU of 5wrw by Molmil
Structure of human apo-SRP72
Descriptor: SULFATE ION, Signal recognition particle subunit SRP72
Authors:Gao, Y, Chen, Z.
Deposit date:2016-12-04
Release date:2017-06-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Human apo-SRP72 and SRP68/72 complex structures reveal the molecular basis of protein translocation
J Mol Cell Biol, 9, 2017
5ZGM
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BU of 5zgm by Molmil
Crystal Structure of Parvalbumin SPVI, the Major Allergens in Mustelus griseus
Descriptor: CALCIUM ION, Parvalbumin SPVI, SULFATE ION
Authors:Yang, R.Q, Chen, Y.L, Jin, T.C, Cao, M.J.
Deposit date:2018-03-09
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Purification, Characterization, and Crystal Structure of Parvalbumins, the Major Allergens in Mustelus griseus.
J. Agric. Food Chem., 66, 2018
5ZH6
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BU of 5zh6 by Molmil
Crystal structure of Parvalbumin SPV-II of Mustelus griseus
Descriptor: CALCIUM ION, Parvalbumin SPV-II, SULFATE ION
Authors:Yang, R.Q, Chen, Y.L, Jin, T.C, Cao, M.J.
Deposit date:2018-03-11
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Purification, Characterization, and Crystal Structure of Parvalbumins, the Major Allergens in Mustelus griseus.
J. Agric. Food Chem., 66, 2018
5ZHO
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BU of 5zho by Molmil
Human group C rotavirus VP8*s recognize type A histo-blood group antigens as ligands
Descriptor: Outer capsid protein VP8*, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose
Authors:Sun, X, Duan, Z, Qi, J.
Deposit date:2018-03-13
Release date:2018-04-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Human Group C Rotavirus VP8*s Recognize Type A Histo-Blood Group Antigens as Ligands.
J. Virol., 92, 2018
7EMN
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BU of 7emn by Molmil
The atomic structure of SHP2 E76A mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Luo, F, Xie, J.J, Zhu, J.D, Liu, C.
Deposit date:2021-04-14
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:A novel partially open state of SHP2 points to a "multiple gear" regulation mechanism.
J.Biol.Chem., 296, 2021
5XVF
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BU of 5xvf by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH062
Descriptor: 2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine, Serine/threonine-protein kinase PAK 4
Authors:Zhao, F, Li, H.
Deposit date:2017-06-27
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.655 Å)
Cite:Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
5WQO
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BU of 5wqo by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition I)
Descriptor: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable dehydrogenase, ...
Authors:Li, S, Wang, Y, Bartlam, M.
Deposit date:2016-11-27
Release date:2017-10-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
5ZDS
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BU of 5zds by Molmil
Crystal structure of the second PDZ domain of Frmpd2
Descriptor: FERM and PDZ domain-containing 2
Authors:Lu, X, Wang, X.F.
Deposit date:2018-02-24
Release date:2019-02-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The second PDZ domain of scaffold protein Frmpd2 binds to GluN2A of NMDA receptors.
Biochem.Biophys.Res.Commun., 516, 2019
5Z9C
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BU of 5z9c by Molmil
Solution NMR structures of BRD4 first bromodomain with small compound MMQO
Descriptor: 8-methoxy-6-methylquinolin-4(1H)-one, Bromodomain-containing protein 4
Authors:Zeng, L, Zhou, M.-M.
Deposit date:2018-02-02
Release date:2018-02-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A New Quinoline BRD4 Inhibitor Targets a Distinct Latent HIV-1 Reservoir for Reactivation from Other "Shock" Drugs.
J. Virol., 92, 2018
5WQM
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BU of 5wqm by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 (condition I)
Descriptor: Probable dehydrogenase, SODIUM ION
Authors:Li, S, Wang, Y, Bartlam, M.
Deposit date:2016-11-27
Release date:2018-07-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
5X23
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BU of 5x23 by Molmil
Crystal structure of CYP2C9 genetic variant A477T (*30) in complex with multiple losartan molecules
Descriptor: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Maekawa, K, Adachi, M, Shah, M.B.
Deposit date:2017-01-30
Release date:2017-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9
Biochemistry, 56, 2017
5XA6
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BU of 5xa6 by Molmil
Ion channel modulation by scorpion haemolymph and its defensin ingredients uncovers origin of neurotoxins in telson formed in Paleozoic scorpion
Descriptor: BmKDfsin3
Authors:Tian, C, Wu, Y, Meng, L, Qu, D.
Deposit date:2017-03-11
Release date:2018-03-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Ion channel modulation by scorpion haemolymph and its defensin ingredients uncovers origin of neurotoxins in telson formed in Paleozoic scorpion
To Be Published
5XVA
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BU of 5xva by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH216
Descriptor: ETHANOL, Serine/threonine-protein kinase PAK 4, [6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
Authors:Zhao, F, Li, H.
Deposit date:2017-06-27
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
5XVG
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BU of 5xvg by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH226
Descriptor: 1,2-ETHANEDIOL, ETHANOL, Serine/threonine-protein kinase PAK 4, ...
Authors:Zhao, F, Li, H.
Deposit date:2017-06-27
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
8K31
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BU of 8k31 by Molmil
The complex of WRKY33 C terminal DBD and SIB1
Descriptor: Probable WRKY transcription factor 33, Sigma factor binding protein 1, chloroplastic, ...
Authors:Dong, X, Gong, Z, Hu, Y.F.
Deposit date:2023-07-14
Release date:2024-06-19
Method:SOLUTION NMR
Cite:Structural basis for the regulation of plant transcription factor WRKY33 by the VQ protein SIB1.
Commun Biol, 7, 2024
7PT0
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BU of 7pt0 by Molmil
SCO3201 with putative ligand
Descriptor: SPERMIDINE, TetR family transcriptional regulator
Authors:Werten, S, Palm, G.J, Hinrichs, W.
Deposit date:2021-09-25
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structures of free and ligand-bound forms of the TetR/AcrR-like regulator SCO3201 from Streptomyces coelicolor suggest a novel allosteric mechanism.
Febs J., 290, 2023
8JWY
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BU of 8jwy by Molmil
Crystal structure of A2AR-T4L in complex with 2-118
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ...
Authors:Weng, Y, Chen, Y, Xu, Y, Song, G.
Deposit date:2023-06-29
Release date:2023-08-16
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
8JWZ
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BU of 8jwz by Molmil
Crystal structure of A2AR-T4L in complex with AB928
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ...
Authors:Weng, Y, Chen, Y, Xu, Y, Song, G.
Deposit date:2023-06-29
Release date:2023-08-16
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
3QOA
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BU of 3qoa by Molmil
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-Benzylpyridine.
Descriptor: 4-benzylpyridine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
Authors:Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R.
Deposit date:2011-02-09
Release date:2011-09-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains.
Mol.Pharmacol., 80, 2011
3TMZ
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BU of 3tmz by Molmil
Crystal Structure of P450 2B4(H226Y) in complex with Amlodipine
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Amlodipine, Cytochrome P450 2B4, ...
Authors:Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R.
Deposit date:2011-09-01
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.248 Å)
Cite:Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules.
Biochemistry, 51, 2012
7X2M
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BU of 7x2m by Molmil
Crystal structure of nanobody 1-2C7 with SARS-CoV-2 RBD
Descriptor: 1-2C7, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2J
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BU of 7x2j by Molmil
Crystal structure of nanobody Nb70 with SARS-CoV RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nb70, Spike protein S1
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-21
Last modified:2023-06-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2K
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BU of 7x2k by Molmil
Crystal structure of nanobody Nb70 with antibody 1F11 fab and SARS-CoV-2 RBD
Descriptor: 1F11-H, 1F11-L, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-21
Last modified:2023-06-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2L
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BU of 7x2l by Molmil
Crystal structure of nanobody 3-2A2-4 with SARS-CoV-2 RBD
Descriptor: Nanobody 3-2A2-4, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
3UA5
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BU of 3ua5 by Molmil
Crystal Structure of P450 2B6 (Y226H/K262R) in complex with two molecules of Amlodipine
Descriptor: Amlodipine, Cytochrome P450 2B6, PROTOPORPHYRIN IX CONTAINING FE
Authors:Shah, M.B, Stout, C.D, Halpert, J.R.
Deposit date:2011-10-21
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules.
Biochemistry, 51, 2012

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数据于2024-07-17公开中

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