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7Y4T
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BU of 7y4t by Molmil
Crystal structure of cMET kinase domain bound by compound 9I
Descriptor: 2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one, Hepatocyte growth factor receptor
Authors:Qu, L.Z, Chen, Y.H.
Deposit date:2022-06-16
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
7Y4U
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BU of 7y4u by Molmil
Crystal structure of cMET kinase domain bound by compound 9Y
Descriptor: Hepatocyte growth factor receptor, ~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide
Authors:Qu, L.Z, Chen, Y.H.
Deposit date:2022-06-16
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
8HRX
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BU of 8hrx by Molmil
Cryo-EM structure of human NTCP-myr-preS1-YN9048Fab complex
Descriptor: Fab heavy chain from antibody IgG clone number YN9048, Fab light chain from antibody IgG clone number YN9048, PreS1 protein (Fragment), ...
Authors:Asami, J, Shimizu, T, Ohto, U.
Deposit date:2022-12-16
Release date:2024-01-17
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structural basis of hepatitis B virus receptor binding.
Nat.Struct.Mol.Biol., 31, 2024
8HRY
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BU of 8hry by Molmil
Cryo-EM structure of human NTCP-myr-preS1-YN9016Fab complex
Descriptor: Fab heavy chain from antibody IgG clone number YN9016, Fab light chain from antibody IgG clone number YN9016, Large S protein (Fragment), ...
Authors:Asami, J, Shimizu, T, Ohto, U.
Deposit date:2022-12-16
Release date:2024-01-17
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structural basis of hepatitis B virus receptor binding.
Nat.Struct.Mol.Biol., 31, 2024
8HSC
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BU of 8hsc by Molmil
Gi bound Orphan GPR20 complex with Fab046 in ligand-free state
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Lin, X, Jiang, S, Xu, F.
Deposit date:2022-12-19
Release date:2023-03-08
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:The activation mechanism and antibody binding mode for orphan GPR20.
Cell Discov, 9, 2023
8IK0
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BU of 8ik0 by Molmil
Cryo-EM structure of Stimulator of interferon genes
Descriptor: Stimulator of interferon genes protein,Immune protein Tsi3
Authors:Lu, D.F, Shang, G.J.
Deposit date:2023-02-28
Release date:2023-05-17
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The mechanism of STING autoinhibition and activation.
Mol.Cell, 83, 2023
8I2N
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BU of 8i2n by Molmil
The RIPK1 kinase domain in complex with QY7-2B compound
Descriptor: Receptor-interacting serine/threonine-protein kinase 1, ~{N}-methyl-1-[4-[[[1-methyl-5-(phenylmethyl)pyrazol-3-yl]carbonylamino]methyl]phenyl]benzimidazole-5-carboxamide
Authors:Gong, X.Y, Li, Y, Meng, H.Y, Pan, L.F.
Deposit date:2023-01-14
Release date:2024-01-31
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structure-based development of potent and selective type-II kinase inhibitors of RIPK1.
Acta Pharm Sin B, 14, 2024
8IZF
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BU of 8izf by Molmil
Cryo-EM structure of the Lac1-Lip1 (Lip1-S74F) complex
Descriptor: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, Ceramide synthase LAC1, Ceramide synthase subunit LIP1
Authors:Xie, T, Fang, Q, Gong, X.
Deposit date:2023-04-07
Release date:2023-12-13
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Structure and mechanism of a eukaryotic ceramide synthase complex.
Embo J., 42, 2023
8IZD
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BU of 8izd by Molmil
Cryo-EM structure of the C26-CoA-bound Lac1-Lip1 complex
Descriptor: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, Ceramide synthase LAC1, Ceramide synthase subunit LIP1, ...
Authors:Xie, T, Fang, Q, Gong, X.
Deposit date:2023-04-07
Release date:2023-12-13
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structure and mechanism of a eukaryotic ceramide synthase complex.
Embo J., 42, 2023
8I0H
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BU of 8i0h by Molmil
Closed conformation of CTPS with dATP dUTP dGTP and DON
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CTP synthase, ...
Authors:Liu, J.L, Guo, C.J.
Deposit date:2023-01-11
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of bifunctional CTP/dCTP synthase
To Be Published
8I0I
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BU of 8i0i by Molmil
dmCTPS with dATP dUTP dGTP and DON
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CTP synthase, DEOXYURIDINE-5'-TRIPHOSPHATE, ...
Authors:Guo, C.J, Liu, J.L.
Deposit date:2023-01-11
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of bifunctional CTP/dCTP synthase
Biorxiv, 2023
8JY6
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BU of 8jy6 by Molmil
Structure of TbAQP2 in complex with anti-trypanosomatid drug melarsoprol
Descriptor: Aquaglyceroporin 2, [(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol
Authors:Chen, W, Wang, C.
Deposit date:2023-07-03
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural insights into drug transport by an aquaglyceroporin.
Nat Commun, 15, 2024
8JY7
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BU of 8jy7 by Molmil
Structure of the TbAQP2 in the apo conformation
Descriptor: Aquaglyceroporin 2
Authors:Chen, W, Wang, C.
Deposit date:2023-07-03
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into drug transport by an aquaglyceroporin.
Nat Commun, 15, 2024
8JY8
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BU of 8jy8 by Molmil
Structure of TbAQP2 in complex with anti-trypanosomatid drug pentamidine
Descriptor: 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, Aquaglyceroporin 2
Authors:Chen, W, Wang, C.
Deposit date:2023-07-03
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:Structural insights into drug transport by an aquaglyceroporin.
Nat Commun, 15, 2024
8IK3
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BU of 8ik3 by Molmil
Structure of Stimulator of interferon genes/ligand complex
Descriptor: Stimulator of interferon genes protein,Immune protein Tsi3, cGAMP
Authors:Lu, D.F, Shang, G.J.
Deposit date:2023-02-28
Release date:2023-05-17
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The mechanism of STING autoinhibition and activation.
Mol.Cell, 83, 2023
8IAK
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BU of 8iak by Molmil
Cryo-EM structure of the yeast SPT-ORM2 (ORM2-S3A-N71A) complex
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Protein ORM2, Serine palmitoyltransferase 2, ...
Authors:Xie, T, Gong, X.
Deposit date:2023-02-08
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Collaborative regulation of yeast SPT-Orm2 complex by phosphorylation and ceramide.
Cell Rep, 43, 2024
8IAJ
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BU of 8iaj by Molmil
Cryo-EM structure of the yeast SPT-ORM2 (ORM2-S3A) complex
Descriptor: N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide, PYRIDOXAL-5'-PHOSPHATE, Protein ORM2, ...
Authors:Xie, T, Gong, X.
Deposit date:2023-02-08
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Collaborative regulation of yeast SPT-Orm2 complex by phosphorylation and ceramide.
Cell Rep, 43, 2024
8IAM
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BU of 8iam by Molmil
Cryo-EM structure of the yeast SPT-ORM2 (ORM2-S3D) complex
Descriptor: Chimera of Long chain base biosynthesis protein 1 and Serine palmitoyltransferase 1, N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Xie, T, Gong, X.
Deposit date:2023-02-08
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Collaborative regulation of yeast SPT-Orm2 complex by phosphorylation and ceramide.
Cell Rep, 43, 2024
8P82
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BU of 8p82 by Molmil
Cryo-EM structure of dimeric UBR5
Descriptor: E3 ubiquitin-protein ligase UBR5, ZINC ION
Authors:Aguirre, J.D, Kater, L, Kempf, G, Cavadini, S, Thoma, N.H.
Deposit date:2023-05-31
Release date:2023-06-14
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:UBR5 forms ligand-dependent complexes on chromatin to regulate nuclear hormone receptor stability.
Mol.Cell, 83, 2023
8P83
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BU of 8p83 by Molmil
Cryo-EM structure of full-length human UBR5 (homotetramer)
Descriptor: E3 ubiquitin-protein ligase UBR5
Authors:Aguirre, J.D, Kater, L, Kempf, G, Cavadini, S, Thoma, N.H.
Deposit date:2023-05-31
Release date:2023-06-14
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:UBR5 forms ligand-dependent complexes on chromatin to regulate nuclear hormone receptor stability.
Mol.Cell, 83, 2023
7C00
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BU of 7c00 by Molmil
Crystal structure of the SRCR domain of human SCARA5.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Scavenger receptor class A member 5
Authors:Yu, B, He, Y.
Deposit date:2020-04-29
Release date:2020-09-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Interactions of ferritin with scavenger receptor class A members.
J.Biol.Chem., 295, 2020
7BV5
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BU of 7bv5 by Molmil
Crystal structure of the yeast heterodimeric ADAT2/3
Descriptor: ZINC ION, tRNA-specific adenosine deaminase subunit TAD2, tRNA-specific adenosine deaminase subunit TAD3
Authors:Xie, W, Liu, X, Chen, R, Sun, Y, Chen, R, Zhou, J, Tian, Q.
Deposit date:2020-04-09
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the yeast heterodimeric ADAT2/3 deaminase.
Bmc Biol., 18, 2020
7BZZ
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BU of 7bzz by Molmil
Crystal structure of the SRCR domain of mouse SCARA5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Scavenger receptor class A member 5
Authors:Yu, B, He, Y.
Deposit date:2020-04-29
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Interactions of ferritin with scavenger receptor class A members.
J.Biol.Chem., 295, 2020
7BPH
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BU of 7bph by Molmil
Crystal structure of GppNHp-bound GNAS in complex with the cyclic peptide inhibitor GN13
Descriptor: CHLORIDE ION, GLYCEROL, GN13, ...
Authors:Hu, Q, Dai, S, Shokat, K.M.
Deposit date:2020-03-22
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:State-selective modulation of heterotrimeric G alpha s signaling with macrocyclic peptides.
Cell, 2022
7C77
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BU of 7c77 by Molmil
Cryo-EM structure of mouse TLR3 in complex with UNC93B1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Protein unc-93 homolog B1, ...
Authors:Ohto, U, Ishida, H, Shimizu, T.
Deposit date:2020-05-23
Release date:2021-01-06
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of Toll-like receptors in complex with UNC93B1.
Nat.Struct.Mol.Biol., 28, 2021

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