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5ZLU
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BU of 5zlu by Molmil
Ribosome Structure bound to ABC-F protein.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Su, W.X, Kumar, V, Ero, R, Andrew, S.W.W, Jian, S, Yong-Gui, G.
Deposit date:2018-03-29
Release date:2018-08-01
Last modified:2019-12-04
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Ribosome protection by antibiotic resistance ATP-binding cassette protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BG5
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BU of 6bg5 by Molmil
Structure of 1-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)urea bound to DCN1
Descriptor: Endolysin, DCN1-like protein 1 chimera, N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-propylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea
Authors:Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T.
Deposit date:2017-10-27
Release date:2018-09-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation.
J. Med. Chem., 61, 2018
8J6R
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BU of 8j6r by Molmil
Cryo-EM structure of the MK-6892-bound human HCAR2-Gi1 complex
Descriptor: 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Mao, C, Gao, M, Zang, S, Zhu, Y, Ma, X, Zhang, Y.
Deposit date:2023-04-26
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Orthosteric and allosteric modulation of human HCAR2 signaling complex.
Nat Commun, 14, 2023
8J6Q
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BU of 8j6q by Molmil
Cryo-EM structure of the 3-HB and compound 9n-bound human HCAR2-Gi1 complex
Descriptor: (3R)-3-hydroxybutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, ...
Authors:Mao, C, Gao, M, Zang, S, Zhu, Y, Ma, X, Zhang, Y.
Deposit date:2023-04-26
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Orthosteric and allosteric modulation of human HCAR2 signaling complex.
Nat Commun, 14, 2023
8J6P
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BU of 8j6p by Molmil
Cryo-EM structure of the MK-6892-bound human HCAR2-Gi1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, ...
Authors:Mao, C, Gao, M, Zang, S, Zhu, Y, Ma, X, Zhang, Y.
Deposit date:2023-04-26
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:Orthosteric and allosteric modulation of human HCAR2 signaling complex.
Nat Commun, 14, 2023
7ESB
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BU of 7esb by Molmil
FmnB complexed with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION
Authors:Zheng, Y.H, Cheng, W.
Deposit date:2021-05-09
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
7F39
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BU of 7f39 by Molmil
The structure of flavin transferase FmnB
Descriptor: FAD:protein FMN transferase
Authors:Cheng, W, Zheng, Y.H.
Deposit date:2021-06-15
Release date:2021-11-03
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.888 Å)
Cite:Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
7F2U
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BU of 7f2u by Molmil
FmnB complexed with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION
Authors:Cheng, W, Zheng, Y.H.
Deposit date:2021-06-14
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
7FIA
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BU of 7fia by Molmil
Structure of AcrIF23
Descriptor: AcrIF23
Authors:Ren, J, Yue, F.
Deposit date:2021-07-30
Release date:2022-07-27
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural and mechanistic insights into the inhibition of type I-F CRISPR-Cas system by anti-CRISPR protein AcrIF23.
J.Biol.Chem., 298, 2022
7FEW
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BU of 7few by Molmil
Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and auranofin gold analogues
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, SULFATE ION, cAMP-activated global transcriptional regulator Vfr
Authors:Chew, B.L.A, Luo, D.
Deposit date:2021-07-22
Release date:2022-07-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the inhibitory mechanism of auranofin and gold(I) analogues against Pseudomonas aeruginosa global virulence factor regulator Vfr.
Comput Struct Biotechnol J, 21, 2023
7F61
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BU of 7f61 by Molmil
Crystal structure of human histamine receptor H3R in complex with antagonist PF03654746
Descriptor: CHOLESTEROL, Histamine H3 receptor, N-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide, ...
Authors:Peng, X, Zhang, H.
Deposit date:2021-06-23
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for recognition of antihistamine drug by human histamine receptor.
Nat Commun, 13, 2022
7FF0
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BU of 7ff0 by Molmil
Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and auranofin
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GOLD ION, SULFATE ION, ...
Authors:Chew, B.L.A, Luo, D.
Deposit date:2021-07-22
Release date:2022-07-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the inhibitory mechanism of auranofin and gold(I) analogues against Pseudomonas aeruginosa global virulence factor regulator Vfr.
Comput Struct Biotechnol J, 21, 2023
7FF8
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BU of 7ff8 by Molmil
Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and Cl(triethylphosphine)gold(I)
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CHLORIDE ION, GOLD ION, ...
Authors:Chew, B.L.A, Luo, D.
Deposit date:2021-07-22
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Inhibitory mechanism of gold analogues against Pseudomonas global virulence factor regulator Vfr
To Be Published
7FF9
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BU of 7ff9 by Molmil
Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and Cl(triethylphosphine)gold(I)
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CHLORIDE ION, GOLD ION, ...
Authors:Chew, B.L.A, Luo, D.
Deposit date:2021-07-23
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibitory mechanism of gold analogues against Pseudomonas global virulence factor regulator Vfr
To Be Published
7F73
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BU of 7f73 by Molmil
Cryo-EM structure of human TMEM120B
Descriptor: MCherry fluorescent protein,Transmembrane protein 120B
Authors:Ke, M, Wu, J, Yan, Z.
Deposit date:2021-06-27
Release date:2021-09-01
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structures of human TMEM120A and TMEM120B.
Cell Discov, 7, 2021
7ESC
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BU of 7esc by Molmil
FmnB complexed with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION
Authors:Cheng, W, Zheng, Y.H.
Deposit date:2021-05-10
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
7ESA
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BU of 7esa by Molmil
the complex structure of flavin transferase FmnB complexed with FAD
Descriptor: FAD:protein FMN transferase, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION
Authors:Zheng, Y.H, Cheng, W.
Deposit date:2021-05-09
Release date:2021-11-03
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
7TEU
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BU of 7teu by Molmil
Crystal structure of JAK2 JH1 with type II inhibitor YLIU-04-105-1
Descriptor: 3-{(4S)-2-[(cyclopropanecarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}-4-methylbenzamide, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Hubbard, S.R.
Deposit date:2022-01-05
Release date:2023-06-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:New scaffolds for type II JAK2 inhibitors overcome the acquired G993A resistance mutation.
Cell Chem Biol, 30, 2023
7VX8
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BU of 7vx8 by Molmil
Cryo-EM structure of ATP-bound human very long-chain fatty acid ABC transporter ABCD1
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Peroxisomal Membrane Protein related,ATP-binding cassette sub-family D member 1
Authors:Chen, Z.P, Xu, D, Wang, L, Mao, Y.X, Yang, L, Cheng, M.T, Hou, W.T, Chen, Y.X, Zhou, C.Z.
Deposit date:2021-11-12
Release date:2022-05-18
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis of substrate recognition and translocation by human very long-chain fatty acid transporter ABCD1.
Nat Commun, 13, 2022
7VWC
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BU of 7vwc by Molmil
Cryo-EM structure of human very long-chain fatty acid ABC transporter ABCD1
Descriptor: Peroxisomal Membrane Protein related,ATP-binding cassette sub-family D member 1, [(2R)-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-oxidanyl-propyl] octadecanoate
Authors:Chen, Z.P, Xu, D, Wang, L, Mao, Y.X, Yang, L, Cheng, M.T, Hou, W.T, Chen, Y.X, Zhou, C.Z.
Deposit date:2021-11-10
Release date:2022-05-18
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Structural basis of substrate recognition and translocation by human very long-chain fatty acid transporter ABCD1.
Nat Commun, 13, 2022
6KYF
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BU of 6kyf by Molmil
Crystal structure of an anti-CRISPR protein
Descriptor: AcrF11, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Niu, Y, Wang, H, Zhang, Y, Feng, Y.
Deposit date:2019-09-18
Release date:2020-09-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:A Type I-F Anti-CRISPR Protein Inhibits the CRISPR-Cas Surveillance Complex by ADP-Ribosylation.
Mol.Cell, 80, 2020
7YSK
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BU of 7ysk by Molmil
Crystal structure of D-Cysteine desulfhydrase from Pectobacterium atrosepticum
Descriptor: D-Cysteine desulfhydrase
Authors:Zhang, X, Wang, L, Xu, X, Xing, X, Zhou, J.
Deposit date:2022-08-12
Release date:2022-12-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization and structural basis of D-cysteine desulfhydrase from Pectobacterium atrosepticum
Tetrahedron, 2022
7YSL
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BU of 7ysl by Molmil
Crystal structure of D-Cysteine desulfhydrase with a trapped PLP-pyruvate geminal diamine
Descriptor: 1,2-ETHANEDIOL, D-Cysteine desulfhydrase, FORMIC ACID
Authors:Zhang, X, Wang, L, Xu, X, Xing, X, Zhou, J.
Deposit date:2022-08-12
Release date:2022-12-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Characterization and structural basis of D-cysteine desulfhydrase from Pectobacterium atrosepticum
Tetrahedron, 2022
7BVW
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BU of 7bvw by Molmil
Crystal structure of the RING-H2 domain of Arabidopsis RMR1
Descriptor: AT5G66160 protein, SODIUM ION, ZINC ION
Authors:Chen, S, Wong, K.B.
Deposit date:2020-04-12
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The RING-finger of AtRMR1 (Arabidopsis receptor-homology-transmembrane-RING-H2 sorting receptor 1) is an E3 ligase that mediate its trafficking
To Be Published
7CHV
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BU of 7chv by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with 1-benzyl-1H-imidazole-2-carboxylic acid
Descriptor: 1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Yan, Y.-H, Li, G.-B.
Deposit date:2020-07-06
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.174 Å)
Cite:AncPhore: A versatile tool for anchor pharmacophore steered drug discovery with applications in discovery of new inhibitors targeting metallo-beta-lactamases and indoleamine/tryptophan 2,3-dioxygenases.
Acta Pharm Sin B, 11, 2021

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PDB entries from 2024-09-25

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