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7WTE
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BU of 7wte by Molmil
Cryo-EM structure of human pyruvate carboxylase with acetyl-CoA in the intermediate state 2
Descriptor: ACETYL COENZYME *A, ADENOSINE-5'-TRIPHOSPHATE, Pyruvate carboxylase, ...
Authors:Chai, P, Lan, P, Wu, J, Lei, M.
Deposit date:2022-02-04
Release date:2022-11-09
Last modified:2022-11-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mechanistic insight into allosteric activation of human pyruvate carboxylase by acetyl-CoA.
Mol.Cell, 82, 2022
4V3P
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BU of 4v3p by Molmil
The molecular structure of the left-handed supra-molecular helix of eukaryotic polyribosomes
Descriptor: 18S ribosomal RNA, 26S ribosomal RNA, 40S WHEAT GERM RIBOSOME protein 4, ...
Authors:Myasnikov, A.G, Afonina, Z.A, Menetret, J.F, Shirokov, V.A, Spirin, A.S, Klaholz, B.P.
Deposit date:2014-10-20
Release date:2015-04-22
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (34 Å)
Cite:The molecular structure of the left-handed supra-molecular helix of eukaryotic polyribosomes.
Nat Commun, 5, 2014
8IPQ
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BU of 8ipq by Molmil
Cryo-EM structure of heme transporter CydDC from Mycobacterium smegmatis in the inward facing apo state
Descriptor: Component linked with the assembly of cytochrome' ABC transporter ATP-binding protein CydC, Transmembrane ATP-binding protein ABC transporter cydD
Authors:Zhu, C, Li, J.
Deposit date:2023-03-14
Release date:2023-06-14
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures of a prokaryotic heme transporter CydDC.
Protein Cell, 14, 2023
8CWO
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BU of 8cwo by Molmil
Cutibacterium acnes 30S ribosomal subunit with Sarecycline bound, body domain only in the local refined map
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Lomakin, I.B, Devarkar, S.C, Bunick, C.G.
Deposit date:2022-05-19
Release date:2023-03-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Sarecycline inhibits protein translation in Cutibacterium acnes 70S ribosome using a two-site mechanism.
Nucleic Acids Res., 51, 2023
5AZ7
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BU of 5az7 by Molmil
Crystal structure of MBP-Tom20 fusion protein with a 4-residue spacer in the connector helix
Descriptor: Maltose-binding periplasmic protein,Mitochondrial import receptor subunit TOM20 homolog, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Matsuoka, R, Kohda, D.
Deposit date:2015-09-27
Release date:2016-01-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Rational design of crystal contact-free space in protein crystals for analyzing spatial distribution of motions within protein molecules.
Protein Sci., 25, 2016
8IPR
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BU of 8ipr by Molmil
Cryo-EM structure of heme transporter CydDC from Mycobacterium smegmatis in the outward facing ATP bound state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Component linked with the assembly of cytochrome' ABC transporter ATP-binding protein CydC, MAGNESIUM ION, ...
Authors:Zhu, C, Li, J.
Deposit date:2023-03-14
Release date:2023-06-14
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structures of a prokaryotic heme transporter CydDC.
Protein Cell, 14, 2023
8IVG
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BU of 8ivg by Molmil
Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease
Descriptor: (3S)-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Kelch-like ECH-associated protein 1, ...
Authors:Otake, K, Ubukata, M, Nagahashi, N, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K.
Deposit date:2023-03-27
Release date:2023-06-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor.
Acs Med.Chem.Lett., 14, 2023
7X26
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BU of 7x26 by Molmil
S41 neutralizing antibody Fab(MERS-CoV)
Descriptor: Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain
Authors:Zeng, J.W, Zhang, S.Y, Wang, X.W.
Deposit date:2022-02-25
Release date:2022-11-09
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.685 Å)
Cite:Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein.
Front Microbiol, 13, 2022
8CTG
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BU of 8ctg by Molmil
Extracellular architecture of an engineered canonical Wnt signaling ternary complex
Descriptor: Frizzled-8, Low-density lipoprotein receptor-related protein 6, PALMITOLEIC ACID, ...
Authors:Tsutsumi, N, Jude, K.M, Garcia, K.C.
Deposit date:2022-05-14
Release date:2023-03-15
Last modified:2023-03-22
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of the Wnt-Frizzled-LRP6 initiation complex reveals the basis for coreceptor discrimination.
Proc.Natl.Acad.Sci.USA, 120, 2023
7O4D
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BU of 7o4d by Molmil
QR2 inhibitor from a novel sulfanamide series to tackle age related oxidative stress and cognitive decline
Descriptor: 8-methyl-2-(4-methyl-3-piperazin-1-ylsulfonyl-phenyl)imidazo[1,2-a]pyridine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Gould, N.L, Scherer, G.R, Carvalh, S, Shurrush, K, Edry, E, Elkobi, A, David, O, Dym, O, Albeck, S, Peleg, Y, Germain, N, Babaev, I, Sharir, H, Lefker, B, Subramanyam, C, Barr, H, Rosenblum, K.
Deposit date:2021-04-06
Release date:2022-08-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Specific quinone reductase 2 inhibitors reduce metabolic burden and reverse Alzheimer's disease phenotype in mice.
J.Clin.Invest., 133, 2023
7X29
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BU of 7x29 by Molmil
MERS-CoV spike complex with S41 neutralizing antibody Fab Class2 (1u2d RBD with 2Fab)
Descriptor: Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain
Authors:Zeng, J.W, Zhang, S.Y, Zhou, H.X, Wang, X.W.
Deposit date:2022-02-25
Release date:2022-11-09
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite:Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein.
Front Microbiol, 13, 2022
8CRX
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BU of 8crx by Molmil
Cutibacterium acnes 70S ribosome with mRNA, P-site tRNA and Sarecycline bound
Descriptor: 23S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Lomakin, I.B, Devarkar, S.C, Bunick, C.G.
Deposit date:2022-05-12
Release date:2023-03-22
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Sarecycline inhibits protein translation in Cutibacterium acnes 70S ribosome using a two-site mechanism.
Nucleic Acids Res., 51, 2023
8JAJ
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BU of 8jaj by Molmil
In situ structures of the ultra-long contracted tail of Myoviridae phage P1
Descriptor: Gp22
Authors:Zhou, J.Q, Liu, H.R.
Deposit date:2023-05-06
Release date:2023-06-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:In Situ Structures of the Ultra-Long Extended and Contracted Tail of Myoviridae Phage P1.
Viruses, 15, 2023
8DJD
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BU of 8djd by Molmil
CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE
Descriptor: 2-[(cyclopropanecarbonyl)amino]-N-(5-phenylpyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Muckelbauer, J.K.
Deposit date:2022-06-30
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:Structure-activity relationship (SAR) studies on substituted N-(pyridin-3-yl)-2-amino-isonicotinamides as highly potent and selective glycogen synthase kinase-3 (GSK-3) inhibitors.
Bioorg.Med.Chem.Lett., 81, 2023
6TWU
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BU of 6twu by Molmil
MAGI1_2 complexed with a phosphomimetic 16E6 peptide
Descriptor: CALCIUM ION, CITRIC ACID, GLYCEROL, ...
Authors:Gogl, G, Cousido-Siah, A, Trave, G.
Deposit date:2020-01-13
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study.
Structure, 28, 2020
7OFG
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BU of 7ofg by Molmil
Oxytocin NMR solution structure
Descriptor: Oxytocin
Authors:Shalev, D.E, Alshanski, I, Yitzchaik, S, Hurevich, M.
Deposit date:2021-05-04
Release date:2021-10-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Determining the structure and binding mechanism of oxytocin-Cu 2+ complex using paramagnetic relaxation enhancement NMR analysis.
J.Biol.Inorg.Chem., 26, 2021
8DJE
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BU of 8dje by Molmil
CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE
Descriptor: (4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Muckelbauer, J.K.
Deposit date:2022-06-30
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.374 Å)
Cite:Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors.
J.Med.Chem., 66, 2023
7XJ2
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BU of 7xj2 by Molmil
Structure of human TRPV3_G573S in complex with Trpvicin in C4 symmetry
Descriptor: Fusion protein of Transient receptor potential cation channel subfamily V member 3 and 3C-GFP, N-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide
Authors:Fan, J, Yue, Z, Jiang, D, Lei, X.
Deposit date:2022-04-14
Release date:2022-11-09
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structural basis of TRPV3 inhibition by an antagonist.
Nat.Chem.Biol., 19, 2023
8IVW
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BU of 8ivw by Molmil
Crystal structure of NRP2 in complex with aNRP2-10 Fab fragment
Descriptor: Heavy chian of antibody 10V8 Fab fragment, Light chain of antibody 10V8 Fab fragment, Neuropilin-2
Authors:Geng, Y, Zhai, L.
Deposit date:2023-03-29
Release date:2023-07-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.205 Å)
Cite:Inhibition of VEGF binding to neuropilin-2 enhances chemosensitivity and inhibits metastasis in triple-negative breast cancer.
Sci Transl Med, 15, 2023
6TX7
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BU of 6tx7 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PIPERIDONE
Descriptor: CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION, ...
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
8DJC
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BU of 8djc by Molmil
CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl] pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
Descriptor: (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Muckelbauer, J.K.
Deposit date:2022-06-30
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.463 Å)
Cite:Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors.
J.Med.Chem., 66, 2023
7XJ1
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BU of 7xj1 by Molmil
Structure of human TRPV3_G573S in complex with Trpvicin in C2 symmetry
Descriptor: Fusion protein of Transient receptor potential cation channel subfamily V member 3 and 3C-GFP, N-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
Authors:Fan, J, Yue, Z, Jiang, D, Lei, X.
Deposit date:2022-04-14
Release date:2022-11-09
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural basis of TRPV3 inhibition by an antagonist.
Nat.Chem.Biol., 19, 2023
8IVX
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BU of 8ivx by Molmil
Crystal structure of NRP2 in complex with aNRP2-14 Fab fragment
Descriptor: 1,2-ETHANEDIOL, Heavy chain of antibody 14V4 Fab fragment, Light chain of antibody 14V4 Fab fragment, ...
Authors:Geng, Y, Zhai, L.
Deposit date:2023-03-29
Release date:2023-07-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition of VEGF binding to neuropilin-2 enhances chemosensitivity and inhibits metastasis in triple-negative breast cancer.
Sci Transl Med, 15, 2023
8D0Z
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BU of 8d0z by Molmil
S728-1157 IgG in complex with SARS-CoV-2-6P-Mut7 Spike protein (focused refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S728-1157 Fab heavy chain variable region, S728-1157 Fab light chain variable region, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2022-05-26
Release date:2023-03-22
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Site of vulnerability on SARS-CoV-2 spike induces broadly protective antibody against antigenically distinct Omicron subvariants.
J.Clin.Invest., 133, 2023
7X58
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BU of 7x58 by Molmil
Cryo-EM structure of human subnucleosome (open form)
Descriptor: Histone H3.1, Histone H4, Widom601 DNA FW (145-MER), ...
Authors:Nozawa, K, Takizawa, Y, Kurumizaka, H.
Deposit date:2022-03-04
Release date:2022-11-16
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:Cryo-electron microscopy structure of the H3-H4 octasome: A nucleosome-like particle without histones H2A and H2B.
Proc.Natl.Acad.Sci.USA, 119, 2022

225946

數據於2024-10-09公開中

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