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4RAN
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BU of 4ran by Molmil
Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents
Descriptor: (2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
Authors:Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W.
Deposit date:2014-09-10
Release date:2015-01-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.549 Å)
Cite:Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents.
J.Med.Chem., 58, 2015
7B9B
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BU of 7b9b by Molmil
Crystal structure of human 5' exonuclease Appollo APO form
Descriptor: 5' exonuclease Apollo, NICKEL (II) ION
Authors:Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-12-14
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
6ZNM
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BU of 6znm by Molmil
The pointed end complex of dynactin bound to BICDR1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ARP1 actin related protein 1 homolog A, ...
Authors:Lau, C.K, Lacey, S.E, Carter, A.P.
Deposit date:2020-07-06
Release date:2020-07-29
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM reveals the complex architecture of dynactin's shoulder region and pointed end.
Embo J., 40, 2021
7A4U
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BU of 7a4u by Molmil
Crystal structure of lid-truncated apo BiP in an oligomeric state
Descriptor: Endoplasmic reticulum chaperone BiP, GLYCEROL
Authors:Perera, L.A, Ron, D.
Deposit date:2020-08-20
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Calcium depletion challenges endoplasmic reticulum proteostasis by destabilising BiP-substrate complexes.
Elife, 9, 2020
6ZP4
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BU of 6zp4 by Molmil
SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
Deposit date:2020-07-08
Release date:2020-07-29
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
7D35
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BU of 7d35 by Molmil
Human LC8 bound to ebola virus VP35(67-76)
Descriptor: Dynein light chain 1, cytoplasmic, Peptide from Polymerase cofactor VP35
Authors:Ku, B, Lim, D.
Deposit date:2020-09-18
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Crystal structure of human LC8 bound to a peptide from Ebola virus VP35.
J.Microbiol, 59, 2021
7DME
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BU of 7dme by Molmil
Solution structure of human Aha1
Descriptor: Activator of 90 kDa heat shock protein ATPase homolog 1
Authors:Hu, H, Zhou, C, Zhang, N.
Deposit date:2020-12-03
Release date:2021-04-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Aha1 Exhibits Distinctive Dynamics Behavior and Chaperone-Like Activity.
Molecules, 26, 2021
4PBY
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BU of 4pby by Molmil
Structure of the human RbAp48-MTA1(656-686) complex
Descriptor: Histone-binding protein RBBP4, ISOPROPYL ALCOHOL, Metastasis-associated protein MTA1
Authors:Murthy, A, Lejon, S, Alqarni, S.S.M, Silva, A.P.G, Watson, A.A, Mackay, J.P, Laue, E.D.
Deposit date:2014-04-14
Release date:2014-06-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insight into the architecture of the NuRD complex: Structure of the RbAp48-MTA1 sub-complex.
J.Biol.Chem., 289, 2014
6ZVH
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BU of 6zvh by Molmil
EDF1-ribosome complex
Descriptor: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Best, K.M, Denk, T, Cheng, J, Thoms, M, Berninghausen, O, Beckmann, R.
Deposit date:2020-07-24
Release date:2020-08-19
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:EDF1 coordinates cellular responses to ribosome collisions.
Elife, 9, 2020
7DNO
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BU of 7dno by Molmil
Characterization of Peptide Ligands Against WDR5 Isolated Using Phage Display Technique
Descriptor: CYS-ARG-THR-LEU-PRO-PHE, WD repeat-containing protein 5
Authors:Cao, J, Cao, D, Xiong, B, Li, Y, Fan, T.
Deposit date:2020-12-10
Release date:2021-02-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Phage-Display Based Discovery and Characterization of Peptide Ligands against WDR5.
Molecules, 26, 2021
7BHP
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BU of 7bhp by Molmil
Cryo-EM structure of the human Ebp1 - 80S ribosome
Descriptor: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Desogus, J, Bhaskar, V, Chao, J.A.
Deposit date:2021-01-11
Release date:2021-02-03
Last modified:2021-03-31
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Dynamic association of human Ebp1 with the ribosome.
Rna, 27, 2021
7DSL
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BU of 7dsl by Molmil
Overall structure of the LAT1-4F2hc bound with JX-078
Descriptor: (2~{S})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, R.H, Li, Y.N, Zhang, Y.Y, Zhong, X.Y, Zhou, Q.
Deposit date:2020-12-31
Release date:2021-03-10
Last modified:2022-06-29
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter.
Cell Discov, 7, 2021
4PC0
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BU of 4pc0 by Molmil
Structure of the human RbAp48-MTA1(670-711) complex
Descriptor: CALCIUM ION, GLYCEROL, Histone-binding protein RBBP4, ...
Authors:Alqarni, S.S.M, Silva, A.P.G, Mackay, J.P, Laue, E.D.
Deposit date:2014-04-14
Release date:2014-06-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insight into the architecture of the NuRD complex: Structure of the RbAp48-MTA1 sub-complex.
J.Biol.Chem., 289, 2014
7DSQ
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BU of 7dsq by Molmil
Overall structure of the LAT1-4F2hc bound with 3,5-diiodo-L-tyrosine
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,5-DIIODOTYROSINE, ...
Authors:Yan, R.H, Li, Y.N, Zhang, Y.Y, Zhong, X.Y, Zhou, Q.
Deposit date:2020-12-31
Release date:2021-03-10
Last modified:2022-06-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter.
Cell Discov, 7, 2021
7DSK
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BU of 7dsk by Molmil
Overall structure of the LAT1-4F2hc bound with JX-075
Descriptor: (2~{S})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, R.H, Li, Y.N, Zhang, Y.Y, Zhong, X.Y, Zhou, Q.
Deposit date:2020-12-31
Release date:2021-03-10
Last modified:2022-06-29
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter.
Cell Discov, 7, 2021
7DSN
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BU of 7dsn by Molmil
Overall structure of the LAT1-4F2hc bound with JX-119
Descriptor: (2~{S})-2-azanyl-7-[[2-(1,3-benzoxazol-2-yl)phenyl]methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, R.H, Li, Y.N, Zhang, Y.Y, Zhong, X.Y, Zhou, Q.
Deposit date:2020-12-31
Release date:2021-03-10
Last modified:2022-06-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter.
Cell Discov, 7, 2021
6ZO4
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BU of 6zo4 by Molmil
The pointed end complex of dynactin bound to BICD2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ARP1 actin related protein 1 homolog A, ...
Authors:Lau, C.K, Lacey, S.E, Carter, A.P.
Deposit date:2020-07-07
Release date:2020-07-29
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8.2 Å)
Cite:Cryo-EM reveals the complex architecture of dynactin's shoulder region and pointed end.
Embo J., 40, 2021
2H4M
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BU of 2h4m by Molmil
Karyopherin Beta2/Transportin-M9NLS
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, Transportin-1
Authors:Chook, Y.M, Cansizoglu, A.E.
Deposit date:2006-05-24
Release date:2006-10-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Rules for nuclear localization sequence recognition by karyopherin beta 2.
Cell(Cambridge,Mass.), 126, 2006
4PBZ
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BU of 4pbz by Molmil
Structure of the human RbAp48-MTA1(670-695) complex
Descriptor: Histone-binding protein RBBP4, Metastasis-associated protein MTA1
Authors:Murthy, A, Pei, X.Y, Watson, A.A, Silva, A.P.G, Mackay, J.P, Laue, E.D.
Deposit date:2014-04-14
Release date:2014-06-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Insight into the architecture of the NuRD complex: Structure of the RbAp48-MTA1 sub-complex.
J.Biol.Chem., 289, 2014
7AAB
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BU of 7aab by Molmil
Crystal structure of the catalytic domain of human PARP1 in complex with inhibitor EB-47
Descriptor: 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
Authors:Schimpl, M, Ogden, T.E.H, Yang, J.-C, Easton, L.E, Underwood, E, Rawlins, P.B, Johannes, J.W, Embrey, K.J, Neuhaus, D.
Deposit date:2020-09-04
Release date:2021-01-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition.
Nucleic Acids Res., 49, 2021
4PCI
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BU of 4pci by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with B16
Descriptor: (4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Dong, J, Caflisch, A.
Deposit date:2014-04-15
Release date:2014-05-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
Bioorg.Med.Chem.Lett., 24, 2014
2HDE
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BU of 2hde by Molmil
Solution Structure of Human SAP18
Descriptor: Histone deacetylase complex subunit SAP18
Authors:McCallum, S.A, Yin, J.P, Pan, B, Fairbrother, W.J.
Deposit date:2006-06-20
Release date:2007-04-24
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of SAP18: a ubiquitin fold in histone deacetylase complex assembly.
Biochemistry, 45, 2006
7A4V
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BU of 7a4v by Molmil
Crystal structure of lid-truncated ADP-bound BiP in an oligomeric state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Endoplasmic reticulum chaperone BiP, GLYCEROL, ...
Authors:Perera, L.A, Ron, D.
Deposit date:2020-08-20
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Calcium depletion challenges endoplasmic reticulum proteostasis by destabilising BiP-substrate complexes.
Elife, 9, 2020
6ZNN
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BU of 6znn by Molmil
The pointed end complex of dynactin bound to Hook3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ARP1 actin related protein 1 homolog A, ...
Authors:Lau, C.K, Lacey, S.E, Carter, A.P.
Deposit date:2020-07-06
Release date:2020-07-29
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Cryo-EM reveals the complex architecture of dynactin's shoulder region and pointed end.
Embo J., 40, 2021
6ZNV
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BU of 6znv by Molmil
Protein polybromo-1 (PB1 BD2) Bound To DP28
Descriptor: 1,2-ETHANEDIOL, 1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol, ACETATE ION, ...
Authors:Preuss, F, Mathea, S, Chatterjee, D, Wanior, M, Joerger, A.C, Knapp, S.
Deposit date:2020-07-06
Release date:2020-08-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020

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