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6ZJ0
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BU of 6zj0 by Molmil
CRYSTAL STRUCTURE OF HRAS-G12D IN COMPLEX WITH GCP AND COMPOUND 18
分子名称: (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase HRas, MAGNESIUM ION, ...
著者Kessler, D, Fischer, G, Boettcher, J.
登録日2020-06-26
公開日2020-08-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.763 Å)
主引用文献Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
6ZJ7
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BU of 6zj7 by Molmil
Trehalose transferase (TreT) from Thermoproteus uzoniensis soaked with Mg
分子名称: GLYCEROL, TETRAETHYLENE GLYCOL, THIOCYANATE ION, ...
著者Bento, I, Mestrom, L, Marsden, S.R, van der Eijk, H, Laustsen, J.U, Jeffries, C.M, Svergun, D.I, Hagedoorn, P.-H, Hanefeld, U.
登録日2020-06-28
公開日2020-09-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars.
Acs Catalysis, 10, 2020
6ZJJ
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BU of 6zjj by Molmil
Topological model of p2 virion baseplate in resting conformation
分子名称: Baseplate protein gp16, Distal tail protein, Receptor binding protein
著者Spinelli, S, Cambillau, C, Goulet, A.
登録日2020-06-29
公開日2020-08-26
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (22 Å)
主引用文献Structural Insights into Lactococcal Siphophage p2 Baseplate Activation Mechanism.
Viruses, 12, 2020
6ZJY
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BU of 6zjy by Molmil
Respiratory complex I from Thermus thermophilus, NAD+ dataset, minor state
分子名称: FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, NADH-quinone oxidoreductase subunit 1, ...
著者Kaszuba, K, Tambalo, M, Gallagher, G.T, Sazanov, L.A.
登録日2020-06-29
公開日2020-09-02
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (5.5 Å)
主引用文献Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
6ZIA
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BU of 6zia by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 8 us structure
分子名称: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
著者Baath, P, Dods, R, Braenden, G, Neutze, R.
登録日2020-06-25
公開日2020-12-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
6D78
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BU of 6d78 by Molmil
The complex between high-affinity TCR DMF5(alpha-D26Y,beta-L98W) and human Class I MHC HLA-A2 with the bound MART-1(27-35)peptide
分子名称: Beta-2-microglobulin, DMF5 alpha chain,DMF5 alpha chain, DMF5 beta chain,DMF5 beta chain, ...
著者Hellman, L.M, Singh, N.K.
登録日2018-04-24
公開日2019-04-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.347 Å)
主引用文献Improving T Cell Receptor On-Target Specificity via Structure-Guided Design.
Mol. Ther., 27, 2019
6ZK6
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BU of 6zk6 by Molmil
Protein Phosphatase 1 (PP1) T320E mutant
分子名称: FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Salvi, F, Barabas, O, Koehn, M.
登録日2020-06-29
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Towards Dissecting the Mechanism of Protein Phosphatase-1 Inhibition by Its C-Terminal Phosphorylation.
Chembiochem, 22, 2021
6DA3
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BU of 6da3 by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
著者Sevrioukova, I.F.
登録日2018-05-01
公開日2019-04-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
5DF6
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BU of 5df6 by Molmil
Crystal structure of PTPN11 tandem SH2 domains in complex with a TXNIP peptide
分子名称: Tyrosine-protein phosphatase non-receptor type 11, UNKNOWN ATOM OR ION, txnip
著者Dong, A, Li, W, Tempel, W, Liu, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2015-08-26
公開日2015-09-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural basis for the regulatory role of the PPxY motifs in the thioredoxin-interacting protein TXNIP.
Biochem.J., 473, 2016
6ZFD
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BU of 6zfd by Molmil
14-3-3 zeta bound to the phosphorylated 18E6 C-terminus
分子名称: 14-3-3 protein zeta/delta,Protein E6, GLYCEROL
著者Gogl, G, Tugaeva, K.V, Sluchanko, N.N, Trave, G.
登録日2020-06-17
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Hierarchized phosphotarget binding by the seven human 14-3-3 isoforms.
Nat Commun, 12, 2021
6ZCF
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BU of 6zcf by Molmil
Amyloid fibril morphology i (in vitro) from murine SAA1.1 protein
分子名称: Serum amyloid A-2 protein
著者Bansal, A, Schmidt, M, Faendrich, M.
登録日2020-06-11
公開日2021-02-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献AA amyloid fibrils from diseased tissue are structurally different from in vitro formed SAA fibrils.
Nat Commun, 12, 2021
6ZG6
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BU of 6zg6 by Molmil
COPII on membranes, outer coat vertex
分子名称: Protein transport protein SEC13, Protein transport protein SEC31
著者Zanetti, G, Hutchings, J.
登録日2020-06-18
公開日2021-02-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (12 Å)
主引用文献Structure of the complete, membrane-assembled COPII coat reveals a complex interaction network.
Nat Commun, 12, 2021
8R9A
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BU of 8r9a by Molmil
A soakable crystal form of human CDK7 in complex with AMP-PNP
分子名称: (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 7, DI(HYDROXYETHYL)ETHER
著者Mukherjee, M, Cleasby, A.
登録日2023-11-30
公開日2024-05-29
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 2024
6ZL0
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BU of 6zl0 by Molmil
COPII on membranes, outer coat left-handed rod
分子名称: Protein transport protein SEC13, Protein transport protein SEC31
著者Zanetti, G, Hutchings, J.
登録日2020-06-30
公開日2021-02-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (40 Å)
主引用文献Structure of the complete, membrane-assembled COPII coat reveals a complex interaction network.
Nat Commun, 12, 2021
6ZG5
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BU of 6zg5 by Molmil
COPII on membranes, outer coat right-handed rod, class1
分子名称: Protein transport protein SEC13, Protein transport protein SEC31
著者Zanetti, G, Hutchings, J.
登録日2020-06-18
公開日2021-02-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (40 Å)
主引用文献Structure of the complete, membrane-assembled COPII coat reveals a complex interaction network.
Nat Commun, 12, 2021
6ZFG
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BU of 6zfg by Molmil
14-3-3 zeta chimera with 18E6 and fusicoccin
分子名称: 14-3-3 protein zeta/delta,Protein E6, FUSICOCCIN, GLYCEROL
著者Gogl, G, Tugaeva, K, Sluchanko, N.N, Trave, G.
登録日2020-06-17
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Hierarchized phosphotarget binding by the seven human 14-3-3 isoforms.
Nat Commun, 12, 2021
8R9B
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BU of 8r9b by Molmil
A soakable crystal form of human CDK7 in complex with AMP-PNP
分子名称: Cyclin-dependent kinase 7, GLYCEROL, MAGNESIUM ION, ...
著者Mukherjee, M, Cleasby, A.
登録日2023-11-30
公開日2024-05-29
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 2024
6ZCG
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BU of 6zcg by Molmil
Amyloid fibril morphology ii (in vitro) from murine SAA1.1 protein
分子名称: Serum amyloid A-2 protein
著者Bansal, A, Schmidt, M, Fandrich, M.
登録日2020-06-11
公開日2021-02-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献AA amyloid fibrils from diseased tissue are structurally different from in vitro formed SAA fibrils.
Nat Commun, 12, 2021
6ZCH
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BU of 6zch by Molmil
Amyloid fibril morphology II (ex vivo) from murine SAA1.1 protein.
分子名称: Serum amyloid A-2 protein
著者Bansal, A, Schmidt, M, Faendrich, M.
登録日2020-06-11
公開日2021-02-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献AA amyloid fibrils from diseased tissue are structurally different from in vitro formed SAA fibrils.
Nat Commun, 12, 2021
8SFG
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BU of 8sfg by Molmil
Crystal Structure of the Open Unbound Catalytically Inactive Makes Caterpillars Floppy-like (MCF) Effector from Vibrio vulnificus CMCP6
分子名称: Autotransporter adhesin, CHLORIDE ION, SULFATE ION
著者Minasov, G, Shuvalova, L, Rosas-Lemus, M, Herrera, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID)
登録日2023-04-11
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of the Open Unbound Catalytically Inactive Makes Caterpillars Floppy-like (MCF) Effector from Vibrio vulnificus CMCP6.
To Be Published
6D4L
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BU of 6d4l by Molmil
Joint X-ray/neutron structure of DNA oligonucleotide d(GTGGCCAC)2 with 2'-SeCH3 modification on Cyt5
分子名称: DNA (5'-D(*GP*TP*GP*GP*(CSL)P*CP*AP*C)-3'), MAGNESIUM ION
著者Kovalevsky, A, Huang, Z, Vandavasi, V.G.
登録日2018-04-18
公開日2018-10-17
最終更新日2023-10-04
実験手法NEUTRON DIFFRACTION (1.56 Å), X-RAY DIFFRACTION
主引用文献Temperature-Induced Replacement of Phosphate Proton with Metal Ion Captured in Neutron Structures of A-DNA.
Structure, 26, 2018
6YSP
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BU of 6ysp by Molmil
Arabidopsis aspartate transcarbamoylase complex with PALA and carbamoyl phosphate
分子名称: GLYCEROL, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ...
著者Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
登録日2020-04-23
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
6YW9
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BU of 6yw9 by Molmil
Arabidopsis aspartate transcarbamoylase mutant F161A complex with PALA
分子名称: GLYCEROL, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, PYRB
著者Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
登録日2020-04-29
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
4FHV
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BU of 4fhv by Molmil
Crystal structures of the Cid1 poly (U) polymerase reveal the mechanism for UTP selectivity - MgCTP bound
分子名称: CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Poly(A) RNA polymerase protein cid1
著者Lunde, B.M, Magler, I, Meinhart, A.
登録日2012-06-06
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of the Cid1 poly (U) polymerase reveal the mechanism for UTP selectivity.
Nucleic Acids Res., 40, 2012
6YVB
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BU of 6yvb by Molmil
Arabidopsis aspartate transcarbamoylase complex with carbamoyl phosphate
分子名称: ACETATE ION, GLYCEROL, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ...
著者Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
登録日2020-04-28
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.826 Å)
主引用文献Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021

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