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6UXY
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BU of 6uxy by Molmil
PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 8
Descriptor: (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Palte, R.L, Schneider, S.E.
Deposit date:2019-11-08
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5).
Acs Med.Chem.Lett., 11, 2020
6UXX
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BU of 6uxx by Molmil
PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 1a
Descriptor: (5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:Palte, R.L, Schneider, S.E.
Deposit date:2019-11-08
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5).
Acs Med.Chem.Lett., 11, 2020
7CMU
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BU of 7cmu by Molmil
Dopamine Receptor D3R-Gi-Pramipexole complex
Descriptor: (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine, 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, ...
Authors:Xu, P, Huang, S, Mao, C, Krumm, B, Zhou, X, Tan, Y, Huang, X.-P, Liu, Y, Shen, D.-D, Jiang, Y, Yu, X, Jiang, H, Melcher, K, Roth, B, Cheng, X, Zhang, Y, Xu, H.
Deposit date:2020-07-29
Release date:2021-03-10
Last modified:2021-04-07
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structures of the human dopamine D3 receptor-G i complexes.
Mol.Cell, 81, 2021
7CMV
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BU of 7cmv by Molmil
Dopamine Receptor D3R-Gi-PD128907 complex
Descriptor: (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol, 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, ...
Authors:Xu, P, Huang, S, Mao, C, Krumm, B, Zhou, X, Tan, Y, Huang, X.-P, Liu, Y, Shen, D.-D, Jiang, Y, Yu, X, Jiang, H, Melcher, K, Roth, B, Cheng, X, Zhang, Y, Xu, H.
Deposit date:2020-07-29
Release date:2021-03-10
Last modified:2021-04-07
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structures of the human dopamine D3 receptor-G i complexes.
Mol.Cell, 81, 2021
8XZJ
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BU of 8xzj by Molmil
Cryo-EM structure of the WN353-bound human APLNR-Gi complex
Descriptor: Apelin receptor, 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, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZG
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BU of 8xzg by Molmil
Cryo-EM structure of the [Pyr1]-apelin-13-bound human APLNR-Gi complex
Descriptor: Apelin receptor, Apelin-13, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZH
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BU of 8xzh by Molmil
Cryo-EM structure of the MM07-bound human APLNR-Gi complex
Descriptor: Apelin receptor, 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, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZF
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BU of 8xzf by Molmil
Cryo-EM structure of the WN561-bound human APLNR-Gi complex
Descriptor: Apelin receptor, 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, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZI
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BU of 8xzi by Molmil
Cryo-EM structure of the CMF-019-bound human APLNR-Gi complex
Descriptor: (3~{S})-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]carbonylamino]hexanoic acid, Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
7PAE
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BU of 7pae by Molmil
The crystal structure of Deltarasin in complex with PDE6D
Descriptor: ACETIC ACID, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, deltarasin
Authors:Beaumont, E, Williams, D.
Deposit date:2021-07-29
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
7PAC
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BU of 7pac by Molmil
The crystal structure of PDE6D in the apo state
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Beaumont, E, Williams, D.
Deposit date:2021-07-29
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
7PAD
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BU of 7pad by Molmil
The crystal structure of DW-0254 in complex with PDE6D
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, NICKEL (II) ION, ...
Authors:Beaumont, E, Williams, D.
Deposit date:2021-07-29
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
7QV2
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BU of 7qv2 by Molmil
Bacillus subtilis collided disome (Collided 70S)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Filbeck, S, Pfeffer, S.
Deposit date:2022-01-19
Release date:2022-03-09
Last modified:2022-04-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Bacterial ribosome collision sensing by a MutS DNA repair ATPase paralogue.
Nature, 603, 2022
7QV3
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BU of 7qv3 by Molmil
Bacillus subtilis MutS2-collided disome complex (MutS2 conf.2; Leading 70S)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Filbeck, S, Pfeffer, S.
Deposit date:2022-01-19
Release date:2022-03-09
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (5.14 Å)
Cite:Bacterial ribosome collision sensing by a MutS DNA repair ATPase paralogue.
Nature, 603, 2022
7QV1
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BU of 7qv1 by Molmil
Bacillus subtilis collided disome (Leading 70S)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Filbeck, S, Pfeffer, S.
Deposit date:2022-01-19
Release date:2022-03-09
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Bacterial ribosome collision sensing by a MutS DNA repair ATPase paralogue.
Nature, 603, 2022
3FMZ
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BU of 3fmz by Molmil
Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand
Descriptor: 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid, Retinol-binding protein 4
Authors:Wang, Z, Johnstone, S, Walker, N.P.
Deposit date:2008-12-22
Release date:2009-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification and Characterization of a Non-retinoid Ligand for Retinol-binding Protein 4 Which Lowers Serum Retinol-binding Protein 4 Levels in Vivo.
J.Biol.Chem., 284, 2009
7SPS
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BU of 7sps by Molmil
Crystal structure of human glucose transporter GLUT3 bound with exofacial inhibitor SA47
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ...
Authors:Wang, N, Jiang, X, Yan, N.
Deposit date:2021-11-03
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for inhibiting human glucose transporters by exofacial inhibitors.
Nat Commun, 13, 2022
7SPT
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BU of 7spt by Molmil
Crystal structure of exofacial state human glucose transporter GLUT3
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ...
Authors:Wang, N, Jiang, X, Yan, N.
Deposit date:2021-11-03
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis for inhibiting human glucose transporters by exofacial inhibitors.
Nat Commun, 13, 2022
8SLM
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BU of 8slm by Molmil
Crystal structure of Deinococcus geothermalis PprI
Descriptor: MANGANESE (II) ION, SULFATE ION, Zn dependent hydrolase fused to HTH domain, ...
Authors:Zhao, Y, Lu, H.
Deposit date:2023-04-23
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The Deinococcus protease PprI senses DNA damage by directly interacting with single-stranded DNA.
Nat Commun, 15, 2024
8SLN
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BU of 8sln by Molmil
Crystal structure of Deinococcus geothermalis PprI complexed with ssDNA
Descriptor: DNA (29-MER), MANGANESE (II) ION, Zn dependent hydrolase fused to HTH domain, ...
Authors:Zhao, Y, Lu, H.
Deposit date:2023-04-23
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Deinococcus protease PprI senses DNA damage by directly interacting with single-stranded DNA.
Nat Commun, 15, 2024
2WGH
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BU of 2wgh by Molmil
Human Ribonucleotide reductase R1 subunit (RRM1) in complex with dATP and Mg.
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Welin, R.M, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kragh-Nielsen, T, Kotzsch, A, Kotenyova, T, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wisniewska, M, Nordlund, P.
Deposit date:2009-04-19
Release date:2009-05-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for Allosteric Regulation of Human Ribonucleotide Reductase by Nucleotide-Induced Oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
6J6M
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BU of 6j6m by Molmil
Co-crystal structure of BTK kinase domain with Zanubrutinib
Descriptor: (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK
Authors:Zhou, X, Hong, Y.
Deposit date:2019-01-15
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
7KQR
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BU of 7kqr by Molmil
A 1.89-A resolution substrate-bound crystal structure of heme-dependent tyrosine hydroxylase from S. sclerotialus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heme-dependent L-tyrosine hydroxylase, ...
Authors:Wang, Y, Shin, I, Liu, A.
Deposit date:2020-11-17
Release date:2021-03-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase.
J.Am.Chem.Soc., 143, 2021
7KQS
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BU of 7kqs by Molmil
A 1.68-A resolution 3-fluoro-L-tyrosine bound crystal structure of heme-dependent tyrosine hydroxylase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-FLUOROTYROSINE, ...
Authors:Wang, Y, Liu, A.
Deposit date:2020-11-17
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.677 Å)
Cite:Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase.
J.Am.Chem.Soc., 143, 2021
7KQU
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BU of 7kqu by Molmil
A 1.58-A resolution crystal structure of ferric-hydroperoxo intermediate of L-tyrosine hydroxylase in complex with 3-fluoro-L-tyrosine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-FLUOROTYROSINE, ...
Authors:Wang, Y, Davis, I, Liu, A.
Deposit date:2020-11-17
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.579 Å)
Cite:Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase.
J.Am.Chem.Soc., 143, 2021

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