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6JH7
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BU of 6jh7 by Molmil
Crystal structure of AerF from Microcystis aeruginosa
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Short chain dehydrogenase family protein, ...
Authors:Qiu, X.
Deposit date:2019-02-17
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural and functional investigation of AerF, a NADPH-dependent alkenal double bond reductase participating in the biosynthesis of Choi moiety of aeruginosin
J.Struct.Biol., 2019
6JHB
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BU of 6jhb by Molmil
Crystal structure of NADPH and 4-hydroxyphenylpyruvic acid bound AerF from Microcystis aeruginosa
Descriptor: 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase family protein
Authors:Qiu, X, Wei, Y, Zhu, W.
Deposit date:2019-02-17
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural and functional investigation of AerF, a NADPH-dependent alkenal double bond reductase participating in the biosynthesis of Choi moiety of aeruginosin
J.Struct.Biol., 2019
8GW4
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BU of 8gw4 by Molmil
SARS-CoV-2 Mpro 1-302/C145A in complex with peptide 8-1
Descriptor: Replicase polyprotein 1ab, peptide 8-1
Authors:Liu, M, Huang, H.
Deposit date:2022-09-16
Release date:2023-08-23
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
8GWS
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BU of 8gws by Molmil
SARS-CoV-2 Mpro 1-302 c145a in complex with peptide 4
Descriptor: Replicase polyprotein 1ab, VAL-LYS-LEU-GLN-ALA-ILE-PHE-ARG
Authors:Liu, M, Fu, Z, Huang, H.
Deposit date:2022-09-17
Release date:2023-08-23
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
6JHA
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BU of 6jha by Molmil
Crystal structure of NADPH bound AerF from Microcystis aeruginosa
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase family protein, TRIETHYLENE GLYCOL
Authors:Qiu, X.
Deposit date:2019-02-17
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural and functional investigation of AerF, a NADPH-dependent alkenal double bond reductase participating in the biosynthesis of Choi moiety of aeruginosin
J.Struct.Biol., 2019
8HQ8
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BU of 8hq8 by Molmil
Bry-LHCII homotrimer of Bryopsis corticulans
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Li, Z.H, Shen, J.R, Wang, W.D.
Deposit date:2022-12-13
Release date:2023-09-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional properties of different types of siphonous LHCII trimers from an intertidal green alga Bryopsis corticulans.
Structure, 31, 2023
8HPD
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BU of 8hpd by Molmil
Bry-LHCII heterotrimer of Bryopsis corticulans
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, CHLOROPHYLL A, ...
Authors:Li, Z.H, Shen, J.R, Wang, W.D.
Deposit date:2022-12-12
Release date:2023-09-06
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:Structural and functional properties of different types of siphonous LHCII trimers from an intertidal green alga Bryopsis corticulans.
Structure, 31, 2023
8HLV
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BU of 8hlv by Molmil
Bry-LHCII homotrimer of Bryopsis corticulans
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, CHLOROPHYLL A, ...
Authors:Li, Z.H, Shen, J.R, Wang, W.D.
Deposit date:2022-12-01
Release date:2023-09-06
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:Structural and functional properties of different types of siphonous LHCII trimers from an intertidal green alga Bryopsis corticulans.
Structure, 31, 2023
8HTR
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BU of 8htr by Molmil
Crystal structure of Bcl2 in complex with S-9c
Descriptor: 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
8HTS
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BU of 8hts by Molmil
Crystal structure of Bcl2 in complex with S-10r
Descriptor: 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
6KCZ
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BU of 6kcz by Molmil
Solution structure of the ZnF-UBP domain of USP20/VDU2
Descriptor: Ubiquitin carboxyl-terminal hydrolase 20, ZINC ION
Authors:Yang, Y, Wen, Y, Zhang, N.
Deposit date:2019-06-30
Release date:2019-07-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and functional studies of USP20 ZnF-UBP domain by NMR.
Protein Sci., 28, 2019
8J0D
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BU of 8j0d by Molmil
FCP heterodimer, Lhca2, and Lhcf5 together as the M1 side binds to the PSII core in the diatom Thalassiosira pseudonana
Descriptor: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Li, Z, Feng, Y, Wang, W, Shen, J.R.
Deposit date:2023-04-10
Release date:2023-10-25
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Structure of a diatom photosystem II supercomplex containing a member of Lhcx family and dimeric FCPII.
Sci Adv, 9, 2023
8IWH
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BU of 8iwh by Molmil
Structure and characteristics of a photosystem II supercomplex containing monomeric LHCX and dimeric FCPII antennae from the diatom Thalassiosira pseudonana
Descriptor: (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol, (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, ...
Authors:Feng, Y, Li, Z.H, Wang, W.D, Shen, J.R.
Deposit date:2023-03-30
Release date:2023-10-25
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Structure of a diatom photosystem II supercomplex containing a member of Lhcx family and dimeric FCPII.
Sci Adv, 9, 2023
4HYU
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BU of 4hyu by Molmil
Crystal structure of JNK1 in complex with JIP1 peptide and 4-{4-[4-(3-Methanesulfonyl-propoxy)-indazol-1-yl]-pyrimidin-2-ylamino}-cyclohexan
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1H-indazol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2012-11-14
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.152 Å)
Cite:Development of amino-pyrimidine inhibitors of c-Jun N-terminal kinase (JNK): kinase profiling guided optimization of a 1,2,3-benzotriazole lead.
Bioorg.Med.Chem.Lett., 23, 2013
2BP6
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BU of 2bp6 by Molmil
crystal Structure of pseudomonas aeruginosa lectin (PA-IIL) complexed with a-L-Galactopyranoside
Descriptor: CALCIUM ION, PSEUDOMONAS AERUGINOSA LECTIN II, SULFATE ION, ...
Authors:Sabin, C.D, Mitchell, E.P, Wimmerova, M, Imberty, A.
Deposit date:2005-04-18
Release date:2006-02-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Binding of Different Monosaccharides by Lectin Pa-Iil from Pseudoman Aeruginosa: Thermodynamics Data Correlated with X-Ray Structures.
FEBS Lett., 580, 2006
5DZX
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BU of 5dzx by Molmil
Protocadherin beta 6 extracellular cadherin domains 1-4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protocadherin beta 6, ...
Authors:Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L.
Deposit date:2015-09-26
Release date:2016-05-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.879 Å)
Cite:Structural Basis of Diverse Homophilic Recognition by Clustered alpha- and beta-Protocadherins.
Neuron, 90, 2016
5DZW
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BU of 5dzw by Molmil
Protocadherin alpha 4 extracellular cadherin domains 1-4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protocadherin alpha-4, ...
Authors:Goodman, K.M, Bahna, F, Mannepalli, S, Honig, B, Shapiro, L.
Deposit date:2015-09-26
Release date:2016-05-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural Basis of Diverse Homophilic Recognition by Clustered alpha- and beta-Protocadherins.
Neuron, 90, 2016
5DZV
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BU of 5dzv by Molmil
Protocadherin alpha 7 extracellular cadherin domains 1-5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein Pcdha7, ...
Authors:Goodman, K.M, Bahna, F, Honig, B, Shapiro, L.
Deposit date:2015-09-26
Release date:2016-05-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural Basis of Diverse Homophilic Recognition by Clustered alpha- and beta-Protocadherins.
Neuron, 90, 2016
5DZY
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BU of 5dzy by Molmil
Protocadherin beta 8 extracellular cadherin domains 1-4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Pcdhb8 protein, ...
Authors:Goodman, K.M, Bahna, F, Mannepalli, S, Honig, B, Shapiro, L.
Deposit date:2015-09-26
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis of Diverse Homophilic Recognition by Clustered alpha- and beta-Protocadherins.
Neuron, 90, 2016
3S9S
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BU of 3s9s by Molmil
Ligand binding domain of PPARgamma complexed with a benzimidazole partial agonist
Descriptor: 1-(3,4-dichlorobenzyl)-2-methyl-N-[(1R)-1-phenylpropyl]-1H-benzimidazole-5-carboxamide, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Lambert, M.H, Xu, R.X.
Deposit date:2011-06-02
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of GSK1997132B a novel centrally penetrant benzimidazole PPARgamma partial agonist.
Bioorg.Med.Chem.Lett., 21, 2011
5SZM
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BU of 5szm by Molmil
Protocadherin gamma A8 extracellular cadherin domains 1-4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PcdhgA8 or protocadherin gamma A8, ...
Authors:Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L.
Deposit date:2016-08-14
Release date:2016-10-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:gamma-Protocadherin structural diversity and functional implications.
Elife, 5, 2016
5SZL
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BU of 5szl by Molmil
Protocadherin gamma A1 extracellular cadherin domains 1-4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Goodman, K.M, Bahna, F, Mannepalli, S, Honig, B, Shapiro, L.
Deposit date:2016-08-14
Release date:2016-10-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:gamma-Protocadherin structural diversity and functional implications.
Elife, 5, 2016
5SZR
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BU of 5szr by Molmil
Protocadherin Gamma B2 extracellular cadherin domains 3-6
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Goodman, K.M, Mannepalli, S, Bahna, F, Rubinstein, R, Honig, B, Shapiro, L.
Deposit date:2016-08-14
Release date:2016-10-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:gamma-Protocadherin structural diversity and functional implications.
Elife, 5, 2016
5SZQ
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BU of 5szq by Molmil
Protocadherin Gamma A4 extracellular cadherin domains 3-6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L.
Deposit date:2016-08-14
Release date:2016-11-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.608 Å)
Cite:gamma-Protocadherin structural diversity and functional implications.
Elife, 5, 2016
5SZN
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BU of 5szn by Molmil
Protocadherin gamma A9 extracellular cadherin domains 1-5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L.
Deposit date:2016-08-14
Release date:2016-10-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.944 Å)
Cite:gamma-Protocadherin structural diversity and functional implications.
Elife, 5, 2016

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