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8JF5
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BU of 8jf5 by Molmil
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAS1440
Descriptor: 4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Fukushima, H, Machida, T, Yamashita, S, Suzuki, T.
Deposit date:2023-05-17
Release date:2024-05-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:TAS1440, a histone H3 competitive LSD1 inhibitor, activates both TGF-beta and notch signaling pathways via INSM1 dissociation in neuroendocrine small cell lung cancer
To Be Published
8GUW
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BU of 8guw by Molmil
Structure of Aurora Kinase A in complex with activator peptide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Peptide from Centrosomal protein of 192 kDa,Aurora kinase A
Authors:Lee, I.-G, Park, J.
Deposit date:2022-09-13
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for CEP192-mediated regulation of centrosomal AURKA.
Sci Adv, 9, 2023
7CMH
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BU of 7cmh by Molmil
The LAT2-4F2hc complex in complex with tryptophan
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, ...
Authors:Yan, R.H, Zhou, J.Y, Li, Y.N, Lei, J.L, Zhou, Q.
Deposit date:2020-07-27
Release date:2020-12-23
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insight into the substrate recognition and transport mechanism of the human LAT2-4F2hc complex.
Cell Discov, 6, 2020
7CNC
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BU of 7cnc by Molmil
cystal structure of human ERH in complex with DGCR8
Descriptor: Enhancer of rudimentary homolog, Microprocessor complex subunit DGCR8
Authors:Li, F, Shen, S.
Deposit date:2020-07-30
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:ERH facilitates microRNA maturation through the interaction with the N-terminus of DGCR8.
Nucleic Acids Res., 48, 2020
8GB1
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BU of 8gb1 by Molmil
Crystal structure of SAMHD1 dimer bound to deoxyguanosine linked inhibitor
Descriptor: 5'-O-[(R)-(3-{[(1M)-3'-bromo[1,1'-biphenyl]-3-carbonyl]amino}propoxy)(hydroxy)phosphoryl]-2'-deoxyguanosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION
Authors:Egleston, M, Dong, L, Howlader, A.H, Bhat, S, Orris, B, Bianchet, M.A, Greenberg, M.M, Stivers, J.T.
Deposit date:2023-02-24
Release date:2023-06-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Deoxyguanosine-Linked Bifunctional Inhibitor of SAMHD1 dNTPase Activity and Nucleic Acid Binding.
Acs Chem.Biol., 18, 2023
8J8M
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BU of 8j8m by Molmil
Overall structure of the LAT1-4F2hc bound with tryptophan
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, Large neutral amino acids transporter small subunit 1, ...
Authors:Yan, R.H, Li, Y.N, Shi, T.H.
Deposit date:2023-05-02
Release date:2024-07-10
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Overall structure of the LAT1-4F2hc bound with tryptophan
To Be Published
8J8L
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BU of 8j8l by Molmil
Overall structure of the LAT1-4F2hc bound with L-dopa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,4-DIHYDROXYPHENYLALANINE, 4F2 cell-surface antigen heavy chain, ...
Authors:Yan, R.H, Li, Y.N, Shi, T.H.
Deposit date:2023-05-02
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Overall structure of the LAT1-4F2hc bound with L-dopa
To Be Published
8GB2
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BU of 8gb2 by Molmil
Crystal structure of Apo-SAMHD1
Descriptor: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION
Authors:Egleston, M, Dong, L, Howlader, A.H, Bhat, S, Orris, B, Bianchet, M.A, Greenberg, M.M, Stivers, J.T.
Deposit date:2023-02-24
Release date:2023-06-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Deoxyguanosine-Linked Bifunctional Inhibitor of SAMHD1 dNTPase Activity and Nucleic Acid Binding.
Acs Chem.Biol., 18, 2023
7CSZ
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BU of 7csz by Molmil
Crystal structure of the N-terminal tandem RRM domains of RBM45 in complex with single-stranded DNA
Descriptor: DNA (5'-D(*CP*GP*AP*CP*GP*GP*GP*AP*CP*GP*C)-3'), RNA-binding protein 45
Authors:Chen, X, Yang, Z, Wang, W, Wang, M.
Deposit date:2020-08-17
Release date:2021-02-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for RNA recognition by the N-terminal tandem RRM domains of human RBM45.
Nucleic Acids Res., 49, 2021
8G7L
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BU of 8g7l by Molmil
ATP-bound mtHsp60 V72I
Descriptor: 60 kDa heat shock protein, mitochondrial, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
Deposit date:2023-02-16
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8G7M
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BU of 8g7m by Molmil
ATP-bound mtHsp60 V72I focus
Descriptor: 60 kDa heat shock protein, mitochondrial, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
Deposit date:2023-02-16
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8G7O
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BU of 8g7o by Molmil
ATP- and mtHsp10-bound mtHsp60 V72I focus
Descriptor: 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ...
Authors:Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
Deposit date:2023-02-16
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8G7N
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BU of 8g7n by Molmil
ATP- and mtHsp10-bound mtHsp60 V72I
Descriptor: 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ...
Authors:Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
Deposit date:2023-02-16
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
7CK6
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BU of 7ck6 by Molmil
Protein translocase of mitochondria
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Mitochondrial import receptor subunit TOM22 homolog, Mitochondrial import receptor subunit TOM40 homolog, ...
Authors:Yang, M, Wang, W, Zhang, L, Chen, X.
Deposit date:2020-07-15
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Atomic structure of human TOM core complex.
Cell Discov, 6, 2020
8G7J
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BU of 8g7j by Molmil
mtHsp60 V72I apo
Descriptor: 60 kDa heat shock protein, mitochondrial
Authors:Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
Deposit date:2023-02-16
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8G7K
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BU of 8g7k by Molmil
mtHsp60 V72I apo focus
Descriptor: 60 kDa heat shock protein, mitochondrial
Authors:Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
Deposit date:2023-02-16
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8GL9
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BU of 8gl9 by Molmil
Co-crystal structure of caPCNA bound to AOH1160 derivative 1LE
Descriptor: CHLORIDE ION, N~2~-(naphthalene-1-carbonyl)-N-(2-phenoxyphenyl)-L-alpha-glutamine, Proliferating cell nuclear antigen
Authors:Jossart, J, Kenjic, N, Malkas, L.H, Hickey, R.J, Perry, J.J.
Deposit date:2023-03-21
Release date:2023-07-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Small molecule targeting of transcription-replication conflict for selective chemotherapy.
Cell Chem Biol, 30, 2023
7CCS
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BU of 7ccs by Molmil
Consensus mutated xCT-CD98hc complex
Descriptor: 4F2 cell-surface antigen heavy chain, Consensus mutated Anionic Amino Acid Transporter Light Chain, Xc- System
Authors:Oda, K, Lee, Y, Takemoto, M, Yamashita, K, Nishizawa, T, Nureki, O.
Deposit date:2020-06-17
Release date:2020-12-09
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Consensus mutagenesis approach improves the thermal stability of system x c - transporter, xCT, and enables cryo-EM analyses.
Protein Sci., 29, 2020
8GLA
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BU of 8gla by Molmil
Co-crystal structure of caPCNA bound to the AOH1996 derivative, AOH1996-1LE
Descriptor: CHLORIDE ION, N-[2-(3-methoxyphenoxy)phenyl]-N~2~-(naphthalene-1-carbonyl)-L-alpha-glutamine, Proliferating cell nuclear antigen
Authors:Jossart, J, Perry, J.J.
Deposit date:2023-03-21
Release date:2023-07-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.77 Å)
Cite:Small molecule targeting of transcription-replication conflict for selective chemotherapy.
Cell Chem Biol, 30, 2023
7CMW
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BU of 7cmw by Molmil
Complex structure of PARP1 catalytic domain with pamiparib
Descriptor: (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, Poly [ADP-ribose] polymerase 1
Authors:Feng, Y.C, Peng, H, Hong, Y, Liu, Y.
Deposit date:2020-07-29
Release date:2020-12-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development.
J.Med.Chem., 63, 2020
8G1U
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BU of 8g1u by Molmil
Structure of the methylosome-Lsm10/11 complex
Descriptor: ADENOSINE, Methylosome protein 50, Methylosome subunit pICln, ...
Authors:Lin, M, Paige, A, Tong, L.
Deposit date:2023-02-03
Release date:2023-08-23
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:In vitro methylation of the U7 snRNP subunits Lsm11 and SmE by the PRMT5/MEP50/pICln methylosome.
Rna, 29, 2023
8G9Q
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BU of 8g9q by Molmil
Tricomplex of Compound-1, KRAS G12C, and CypA
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
Deposit date:2023-02-21
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Chemical remodeling of a cellular chaperone to target the active state of mutant KRAS.
Science, 381, 2023
8JUW
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BU of 8juw by Molmil
Human ATAD2 Walker B mutant-H3/H4K5Q complex, ATP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATPase family AAA domain-containing protein 2
Authors:Cho, C, Song, J.
Deposit date:2023-06-27
Release date:2023-10-18
Method:ELECTRON MICROSCOPY (3.79 Å)
Cite:Structure of the human ATAD2 AAA+ histone chaperone reveals mechanism of regulation and inter-subunit communication.
Commun Biol, 6, 2023
8JUZ
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BU of 8juz by Molmil
Human ATAD2 Walker B mutant-H3/H4K5Q complex, ATP state (Class III)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATPase family AAA domain-containing protein 2
Authors:Cho, C, Song, J.
Deposit date:2023-06-27
Release date:2023-10-18
Method:ELECTRON MICROSCOPY (4.29 Å)
Cite:Structure of the human ATAD2 AAA+ histone chaperone reveals mechanism of regulation and inter-subunit communication.
Commun Biol, 6, 2023
8G9P
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BU of 8g9p by Molmil
Tricomplex of RMC-4998, KRAS G12C, and CypA
Descriptor: (2S)-2-{(5S)-7-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,8S,10R,14S,21M)-22-ethyl-21-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-3-methylbutanamide (non-preferred name), CHLORIDE ION, GTPase KRas, ...
Authors:Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
Deposit date:2023-02-21
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Chemical remodeling of a cellular chaperone to target the active state of mutant KRAS.
Science, 381, 2023

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數據於2024-09-25公開中

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