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7VXK
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BU of 7vxk by Molmil
SARS-CoV-2 spike protein in complex with ACE2, Beta variant, C2A state
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Xu, C, Cong, Y.
Deposit date:2021-11-12
Release date:2021-12-22
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7VXB
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BU of 7vxb by Molmil
SARS-CoV-2 Kappa variant spike protein in C2b state
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Xu, C, Cong, Y.
Deposit date:2021-11-12
Release date:2021-12-22
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7VXM
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BU of 7vxm by Molmil
SARS-CoV-2 spike protein in complex with ACE2, Beta variant, C3 state
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Xu, C, Cong, Y.
Deposit date:2021-11-12
Release date:2022-01-12
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
6OVB
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BU of 6ovb by Molmil
Crystal structure of a Bacillus thuringiensis Cry1Da tryptic core variant
Descriptor: Active core crystal toxin protein 1D
Authors:Rydel, T.J, Halls, C, Evdokimov, A.G, Beishir, S.C.
Deposit date:2019-05-07
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.611 Å)
Cite:Bacillus thuringiensis Cry1Da_7 and Cry1B.868 Protein Interactions with Novel Receptors Allow Control of Resistant Fall Armyworms, Spodoptera frugiperda (J.E. Smith).
Appl.Environ.Microbiol., 85, 2019
6OWK
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BU of 6owk by Molmil
Crystal structure of a Bacillus thuringiensis Cry1B.867 tryptic core variant
Descriptor: Pesticidal crystal protein Cry1Be, Cry1K-like protein chimera
Authors:Rydel, T.J, Evdokimov, A, Beishir, S.C.
Deposit date:2019-05-10
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Bacillus thuringiensis Cry1Da_7 and Cry1B.868 Protein Interactions with Novel Receptors Allow Control of Resistant Fall Armyworms, Spodoptera frugiperda (J.E. Smith).
Appl.Environ.Microbiol., 85, 2019
5XP3
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BU of 5xp3 by Molmil
Crystal structure of apo T2R-TTL
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-05-31
Release date:2017-10-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
7WEV
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BU of 7wev by Molmil
SARS-COV-2 BETA VARIANT SPIKE PROTEIN IN TRANSITION STATE
Descriptor: Spike glycoprotein
Authors:Xu, C, Cong, Y.
Deposit date:2021-12-24
Release date:2022-01-26
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
8IOO
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BU of 8ioo by Molmil
Crystal structure of Deinococcus radiodurans RecJ-like protein in complex with Mg2+
Descriptor: MAGNESIUM ION, RecJ-like protein, SULFATE ION
Authors:Cheng, K.
Deposit date:2023-03-13
Release date:2024-03-20
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional investigation of the DHH/DHHA1 family proteins in Deinococcus radiodurans.
Nucleic Acids Res., 52, 2024
3A1L
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BU of 3a1l by Molmil
Crystal Structure of 11,11'-Dichlorochromopyrrolic Acid Bound Cytochrome P450 StaP (CYP245A1)
Descriptor: 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Makino, M, Sugimoto, H, Shiro, Y, Asamizu, S, Onaka, H, Nagano, S.
Deposit date:2009-04-09
Release date:2009-05-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Theoretical and experimental studies of the conversion of chromopyrrolic acid to an antitumor derivative by cytochrome P450 StaP: the catalytic role of water molecules
J.Am.Chem.Soc., 131, 2009
5XYZ
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BU of 5xyz by Molmil
The structure of human BTK kinase domain in complex with a covalent inhibitor
Descriptor: N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK
Authors:Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N.
Deposit date:2017-07-11
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
5XYX
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BU of 5xyx by Molmil
The structure of p38 alpha in complex with a triazol inhibitor
Descriptor: Mitogen-activated protein kinase 14, N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine
Authors:Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N.
Deposit date:2017-07-11
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
5XYY
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BU of 5xyy by Molmil
The structure of p38 alpha in complex with a triazol inhibitor
Descriptor: 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol, Mitogen-activated protein kinase 14
Authors:Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N.
Deposit date:2017-07-11
Release date:2018-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
6W78
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BU of 6w78 by Molmil
crystal structure of a plant ice-binding protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antifreeze polypeptide
Authors:Wang, Y.N, Zhang, H.Q.
Deposit date:2020-03-18
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.311 Å)
Cite:Carrot 'antifreeze' protein has an irregular ice-binding site that confers weak freezing point depression but strong inhibition of ice recrystallization.
Biochem.J., 477, 2020
5YP6
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BU of 5yp6 by Molmil
RORgamma (263-509) complexed with SRC2 and Compound 6
Descriptor: N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, SRC2
Authors:Gao, M, Cai, W.
Deposit date:2017-11-01
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
8Z9Z
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BU of 8z9z by Molmil
Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ...
Authors:Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P.
Deposit date:2024-04-24
Release date:2024-06-19
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
8Z9A
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BU of 8z9a by Molmil
Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum bound with geranyl acetate
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ...
Authors:Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P.
Deposit date:2024-04-23
Release date:2024-06-19
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
5YP5
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BU of 5yp5 by Molmil
Crystal structure of RORgamma complexed with SRC2 and compound 5d
Descriptor: 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide, Nuclear receptor ROR-gamma, SRC2-2 peptide
Authors:Gao, M, Cai, W, Chunwa, C.
Deposit date:2017-11-01
Release date:2018-04-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
6AE8
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BU of 6ae8 by Molmil
Structure insight into histone chaperone Chz1-mediated H2A.Z recognition and replacement
Descriptor: BICINE, Histone H2A.Z-specific chaperone CHZ1, Histone H2B.1,Histone H2A.Z
Authors:Wang, Y.Y, Shan, S, Zhou, Z.
Deposit date:2018-08-03
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into histone chaperone Chz1-mediated H2A.Z recognition and histone replacement.
Plos Biol., 17, 2019
7VGG
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BU of 7vgg by Molmil
Cryo-EM structure of Ultraviolet-B activated UVR8 in complex with COP1
Descriptor: E3 ubiquitin-protein ligase COP1, Ultraviolet-B receptor UVR8
Authors:Wang, Y.D, Wang, L.X, Guan, Z.Y, Yin, P.
Deposit date:2021-09-16
Release date:2022-05-04
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insight into UV-B-activated UVR8 bound to COP1.
Sci Adv, 8, 2022
5EKM
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BU of 5ekm by Molmil
Human Carbonic Anhydrase II complexed with a two-faced guest
Descriptor: 2-(butylamino)-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2015-11-03
Release date:2016-01-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR.
Angew.Chem.Int.Ed.Engl., 55, 2016
3NCU
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BU of 3ncu by Molmil
Structural and functional insights into pattern recognition by the innate immune receptor RIG-I
Descriptor: 5'-R(*(GDP)P*AP*CP*GP*CP*UP*AP*GP*CP*GP*UP*C)-3', RIG-I, ZINC ION
Authors:Sheng, G, Li, H.
Deposit date:2010-06-05
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and functional insights into 5'-ppp RNA pattern recognition by the innate immune receptor RIG-I.
Nat.Struct.Mol.Biol., 17, 2010
5EKJ
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BU of 5ekj by Molmil
Human Carbonic Anhydrase II complexed with a two-faced guest
Descriptor: 2-(butylamino)-~{N}-[2-(4-sulfamoylphenyl)ethyl]ethanamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2015-11-03
Release date:2016-01-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.129 Å)
Cite:Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR.
Angew.Chem.Int.Ed.Engl., 55, 2016
5EKH
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BU of 5ekh by Molmil
Human Carbonic Anhydrase II complexed with a two-faced guest
Descriptor: 4-(butylaminomethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Roose, B.W, Dmochowksi, I.J.
Deposit date:2015-11-03
Release date:2016-01-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR.
Angew.Chem.Int.Ed.Engl., 55, 2016
3TSY
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BU of 3tsy by Molmil
4-Coumaroyl-CoA Ligase::Stilbene Synthase fusion protein
Descriptor: Fusion Protein 4-coumarate--CoA ligase 1, Resveratrol synthase
Authors:Yi, H, Jez, J.M.
Deposit date:2011-09-13
Release date:2011-12-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and Kinetic Analysis of the Unnatural Fusion Protein 4-Coumaroyl-CoA Ligase::Stilbene Synthase.
J.Am.Chem.Soc., 133, 2011
4QOC
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BU of 4qoc by Molmil
crystal structure of compound 16 bound to MDM2(17-111), {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-CYCLOPROPYL-2-(PYRROLIDIN-1-YLSULFONYL)ETHYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2014-06-19
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization beyond AMG 232: discovery and SAR of sulfonamides on a piperidinone scaffold as potent inhibitors of the MDM2-p53 protein-protein interaction.
Bioorg.Med.Chem.Lett., 24, 2014

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數據於2024-07-24公開中

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