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3MK8
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BU of 3mk8 by Molmil
The MCL-1 BH3 Helix is an Exclusive MCL-1 Inhibitor and Apoptosis Sensitizer
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Stewart, M, Fire, E, Keating, A.E, Walensky, L.D.
Deposit date:2010-04-14
Release date:2010-06-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.321 Å)
Cite:The MCL-1 BH3 helix is an exclusive MCL-1 inhibitor and apoptosis sensitizer.
Nat.Chem.Biol., 6, 2010
6P94
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BU of 6p94 by Molmil
Human APE1 C65A AP-endonuclease product complex
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Whitaker, A.W, Stark, W.J, Freudenthal, B.D.
Deposit date:2019-06-09
Release date:2020-01-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Functions of the major abasic endonuclease (APE1) in cell viability and genotoxin resistance.
Mutagenesis, 35, 2020
7PP1
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BU of 7pp1 by Molmil
Crystal structure of the P2Y12 receptor in complex with the inverse agonist selatogrel.
Descriptor: CHOLESTEROL, P2Y purinoceptor 12,Soluble cytochrome b562,P2Y purinoceptor 12, Selatogrel
Authors:Mac Sweeney, A, Tidten-Luksch, N.
Deposit date:2021-09-13
Release date:2022-11-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Inverse agonist efficacy of selatogrel blunts constitutive P2Y12 receptor signaling by inducing the inactive receptor conformation.
Biochem Pharmacol, 206, 2022
6P9G
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BU of 6p9g by Molmil
Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 2-(4-oxoquinazolin-3(4H)-yl)propanoic acid
Descriptor: (2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid, UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 5, ...
Authors:Tempel, W, Mann, M.K, Harding, R.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Structural Genomics Consortium (SGC)
Deposit date:2019-06-10
Release date:2019-09-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain.
J.Med.Chem., 62, 2019
8RJD
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BU of 8rjd by Molmil
Structure of the rabbit 80S ribosome stalled on a 2-TMD rhodopsin intermediate in complex with Sec61-TRAP, open conformation 2
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Lewis, A.J.O, Hegde, R.S.
Deposit date:2023-12-20
Release date:2024-01-24
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.78574 Å)
Cite:Structural analysis of the dynamic ribosome-translocon complex.
Elife, 13, 2024
7A3M
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BU of 7a3m by Molmil
Synergistic stabilization of a double mutant in CI2 from an in-cell library screen
Descriptor: Subtilisin-chymotrypsin inhibitor-2A
Authors:Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V.
Deposit date:2020-08-18
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli.
Commun Biol, 4, 2021
6PAU
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BU of 6pau by Molmil
Structure of Human NMT2 with myristoyl-lysine peptide and CoA products
Descriptor: 4'-diphospho pantetheine, Arf6 peptide, GLYCEROL, ...
Authors:Price, I.R, Lin, H.
Deposit date:2019-06-11
Release date:2020-03-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:NMT1 and NMT2 are lysine myristoyltransferases regulating the ARF6 GTPase cycle.
Nat Commun, 11, 2020
3ZGE
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BU of 3zge by Molmil
Greater efficiency of photosynthetic carbon fixation due to single amino acid substitution
Descriptor: 1,2-ETHANEDIOL, ASPARTIC ACID, C4 PHOSPHOENOLPYRUVATE CARBOXYLASE, ...
Authors:Paulus, J.K, Schlieper, D, Groth, G.
Deposit date:2012-12-17
Release date:2013-02-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Greater Efficiency of Photosynthetic Carbon Fixation due to Single Amino Acid Substitution
Nat.Commun., 4, 2013
6PAO
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BU of 6pao by Molmil
Structure of a bacterial Atm1-family ABC exporter with ATP bound
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATM1-type heavy metal exporter
Authors:Fan, C, Kaiser, J.T, Rees, D.C.
Deposit date:2019-06-11
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:A structural framework for unidirectional transport by a bacterial ABC exporter.
Proc.Natl.Acad.Sci.USA, 117, 2020
7A5K
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BU of 7a5k by Molmil
Structure of the human mitoribosome in the post translocation state bound to mtEF-G1
Descriptor: 12S rRNA, 16S rRNA, 28S ribosomal protein S10, ...
Authors:Desai, N, Yang, H, Chandrasekaran, V, Kazi, R, Minczuk, M, Ramakrishnan, V.
Deposit date:2020-08-21
Release date:2020-12-23
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Elongational stalling activates mitoribosome-associated quality control.
Science, 370, 2020
8RBX
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BU of 8rbx by Molmil
Structure of Integrator-PP2A bound to a paused RNA polymerase II-DSIF-NELF-nucleosome complex
Descriptor: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit RPB11-a, DNA-directed RNA polymerase II subunit RPB3, ...
Authors:Fianu, I, Ochmann, M, Walshe, J.L, Cramer, P.
Deposit date:2023-12-05
Release date:2024-02-07
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis of Integrator-dependent RNA polymerase II termination.
Nature, 629, 2024
3MN7
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BU of 3mn7 by Molmil
Structures of actin-bound WH2 domains of Spire and the implication for filament nucleation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, CALCIUM ION, ...
Authors:Ducka, A.M, Sitar, T, Popowicz, G.M, Huber, R, Holak, T.A.
Deposit date:2010-04-21
Release date:2010-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of actin-bound Wiskott-Aldrich syndrome protein homology 2 (WH2) domains of Spire and the implication for filament nucleation.
Proc.Natl.Acad.Sci.USA, 107, 2010
6PCM
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BU of 6pcm by Molmil
Crystal Structure of Mycobacterium smegmatis Topoisomerase I with ssDNA bound to both N- and C-terminal domains
Descriptor: DNA (5'-D(P*AP*GP*TP*GP*AP*GP*CP*GP*AP*GP*CP*TP*TP*CP*CP*GP*CP*TP*TP*GP*AP*CP*TP*T)-3'), DNA topoisomerase 1, SULFATE ION
Authors:Tan, K, Cao, N, Tse-Dinh, Y.C.
Deposit date:2019-06-17
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.107 Å)
Cite:Mechanistic insights from structure of Mycobacterium smegmatis topoisomerase I with ssDNA bound to both N- and C-terminal domains.
Nucleic Acids Res., 48, 2020
8RJB
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BU of 8rjb by Molmil
Structure of the rabbit 80S ribosome stalled on a 2-TMD rhodopsin intermediate in complex with Sec61-RAMP4
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Lewis, A.J.O, Hegde, R.S.
Deposit date:2023-12-20
Release date:2024-01-24
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (2.69243 Å)
Cite:Structural analysis of the dynamic ribosome-translocon complex.
Elife, 13, 2024
5EJ3
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BU of 5ej3 by Molmil
Crystal structure of XlnB2
Descriptor: Endo-1,4-beta-xylanase B
Authors:Couture, J.-F.
Deposit date:2015-11-01
Release date:2016-09-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.314 Å)
Cite:Ligand Binding Enhances Millisecond Conformational Exchange in Xylanase B2 from Streptomyces lividans.
Biochemistry, 55, 2016
3ZLN
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BU of 3zln by Molmil
Crystal structure of BCL-XL in complex with inhibitor (Compound 3)
Descriptor: 1,2-ETHANEDIOL, 6-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]pyridine-2-carboxylic acid, BCL-2-LIKE PROTEIN 1, ...
Authors:Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
Deposit date:2013-02-04
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
6PD8
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BU of 6pd8 by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 39
Descriptor: 5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-06-18
Release date:2020-04-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.738 Å)
Cite:Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
6PDC
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BU of 6pdc by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 42
Descriptor: 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-06-18
Release date:2020-04-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
5EJX
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BU of 5ejx by Molmil
X-ray Free Electron Laser Structure of Cytochrome C Peroxidase
Descriptor: Cytochrome c peroxidase, mitochondrial, PHOSPHATE ION, ...
Authors:Doukov, T, Soltis, S.M, Baxter, E.L, Cohen, A, Song, J, McPhillips, S, Poulos, T.L, Meharenna, Y.T, Chreifi, G.
Deposit date:2015-11-02
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the pristine peroxidase ferryl center and its relevance to proton-coupled electron transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
7AEA
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BU of 7aea by Molmil
Cryo-EM structure of human RNA Polymerase III elongation complex 2
Descriptor: DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ...
Authors:Girbig, M, Misiaszek, A.D, Vorlaender, M.K, Mueller, C.W.
Deposit date:2020-09-17
Release date:2021-02-03
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures of human RNA polymerase III in its unbound and transcribing states.
Nat.Struct.Mol.Biol., 28, 2021
7A97
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BU of 7a97 by Molmil
SARS-CoV-2 Spike Glycoprotein with 2 ACE2 Bound
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J.
Deposit date:2020-09-01
Release date:2020-09-16
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
5EKX
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BU of 5ekx by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYLMETHIONINE AND FRAGMENT NB2E11
Descriptor: 4-chloro-5-methylbenzene-1,2-diamine, NS5 METHYLTRANSFERASE, S-ADENOSYLMETHIONINE
Authors:Barral, K, Bricogne, G, Sharff, A.
Deposit date:2015-11-04
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5GW6
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BU of 5gw6 by Molmil
Water-Bridge Mediates Recognition of mRNA Cap in eIF4E
Descriptor: Eukaryotic translation initiation factor 4E, GLYCEROL
Authors:Brown, C.J.
Deposit date:2016-09-08
Release date:2016-10-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Water-Bridge Mediates Recognition of mRNA Cap in eIF4E
Structure, 25, 2017
5GWF
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BU of 5gwf by Molmil
FraC with GlcNAc(6S) bound
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, CHLORIDE ION, DELTA-actitoxin-Afr1a, ...
Authors:Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2016-09-11
Release date:2017-06-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Haemolytic actinoporins interact with carbohydrates using their lipid-binding module
Philos. Trans. R. Soc. Lond., B, Biol. Sci., 372, 2017
6PGK
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BU of 6pgk by Molmil
Membrane Protein Megahertz Crystallography at the European XFEL, Photosystem I XFEL at 2.9 A
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Fromme, R, Gisriel, C, Fromme, P.
Deposit date:2019-06-24
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Membrane protein megahertz crystallography at the European XFEL.
Nat Commun, 10, 2019

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數據於2024-11-13公開中

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