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6UR3
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BU of 6ur3 by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: 1,2-ETHANEDIOL, 2-hydroxyethyl hydrogen phenylboronate, Beta-lactamase, ...
Authors:Scapin, G.
Deposit date:2019-10-22
Release date:2019-10-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.423 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
8TL6
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BU of 8tl6 by Molmil
Cryo-EM structure of DDB1deltaB-DDA1-DCAF5
Descriptor: DDB1- and CUL4-associated factor 5, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1
Authors:Yue, H, Hunkeler, M, Roy Burman, S.S, Fischer, E.S.
Deposit date:2023-07-26
Release date:2024-04-03
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:Targeting DCAF5 suppresses SMARCB1-mutant cancer by stabilizing SWI/SNF.
Nature, 628, 2024
5LDL
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BU of 5ldl by Molmil
Myristoylated T41I/T78I mutant of M-PMV matrix protein
Descriptor: MYRISTIC ACID, myristoylated M-PMV matrix protein mutant
Authors:Kroupa, T, Hrabal, R.
Deposit date:2016-06-27
Release date:2016-07-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Membrane Interactions of the Mason-Pfizer Monkey Virus Matrix Protein and Its Budding Deficient Mutants.
J.Mol.Biol., 428, 2016
5LG0
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BU of 5lg0 by Molmil
Solution NMR structure of Tryptophan to Alanine mutant of Arkadia RING domain.
Descriptor: E3 ubiquitin-protein ligase Arkadia, ZINC ION
Authors:Birkou, M, Chasapis, C.T, Loutsidou, A.K, Bentrop, D, Lelli, M, Herrmann, T, Episkopou, V, Spyroulias, G.A.
Deposit date:2016-07-05
Release date:2017-06-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A Residue Specific Insight into the Arkadia E3 Ubiquitin Ligase Activity and Conformational Plasticity.
J. Mol. Biol., 429, 2017
8C49
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BU of 8c49 by Molmil
Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for 3-Methyl-L-histidine, bound to AMPPNP
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Hardy, F.J, Levy, C.W.
Deposit date:2023-01-03
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Engineering mutually orthogonal PylRS/tRNA pairs for dual encoding of functional histidine analogues.
Protein Sci., 32, 2023
8TGN
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BU of 8tgn by Molmil
VMAT1 dimer with serotonin and reserpine
Descriptor: Chromaffin granule amine transporter, SEROTONIN, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGL
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BU of 8tgl by Molmil
VMAT1 dimer with norepinephrine and reserpine
Descriptor: Chromaffin granule amine transporter, L-NOREPINEPHRINE, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGI
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BU of 8tgi by Molmil
VMAT1 dimer with dopamine and reserpine
Descriptor: Chromaffin granule amine transporter, L-DOPAMINE, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGG
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BU of 8tgg by Molmil
VMAT1 dimer with MPP+ and reserpine
Descriptor: 1-methyl-4-phenylpyridin-1-ium, Chromaffin granule amine transporter, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGJ
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BU of 8tgj by Molmil
VMAT1 dimer in unbound form and with reserpine
Descriptor: VMAT1 dimer in unbound form and with reserpine, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGK
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BU of 8tgk by Molmil
VMAT1 dimer with histamine and reserpine
Descriptor: Chromaffin granule amine transporter, HISTAMINE, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
5M5L
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BU of 5m5l by Molmil
Pseudo-atomic model of microtubule-bound S. pombe kinesin-5 motor domain in the AMPPNP state (based on cryo-electron microscopy experiment): the N-terminus adopts multiple conformations
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein cut7, ...
Authors:Goulet, A, Moores, C.A, Cross, R.A.
Deposit date:2016-10-21
Release date:2016-11-30
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (9.3 Å)
Cite:Schizosaccharomyces pombe kinesin-5 switches direction using a steric blocking mechanism.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
7TAU
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BU of 7tau by Molmil
Refined capsid structure of human adenovirus D26 at 3.4 A resolution
Descriptor: Fiber, Hexon protein, PIX, ...
Authors:Reddy, V.S, Yu, X, Barry, M.A.
Deposit date:2021-12-21
Release date:2022-03-16
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Refined Capsid Structure of Human Adenovirus D26 at 3.4 angstrom Resolution.
Viruses, 14, 2022
6P1O
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BU of 6p1o by Molmil
Post-catalytic nicked complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and newly incorporated dAMP
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
6SAZ
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BU of 6saz by Molmil
Cleaved human fetuin-b in complex with crayfish astacin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Astacin, ...
Authors:Gomis-Ruth, F.X, Guevara, T, Cuppari, A, Korschgen, H, Schmitz, C, Kuske, M, Yiallouros, I, Floehr, J, Jahnen-Dechent, W, Stocker, W.
Deposit date:2019-07-18
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:The C-terminal region of human plasma fetuin-B is dispensable for the raised-elephant-trunk mechanism of inhibition of astacin metallopeptidases.
Sci Rep, 9, 2019
6YMG
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BU of 6ymg by Molmil
VcaM4I restriction endonuclease in complex with 5mC-modified dsDNA
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*CP*AP*TP*GP*(5CM)P*GP*CP*TP*GP*A)-3'), DNA (5'-D(P*CP*AP*GP*CP*GP*CP*AP*TP*GP*G)-3'), ...
Authors:Pastor, M, Czapinska, H, Lutz, T, Helbrecht, I, Xu, S, Bochtler, M.
Deposit date:2020-04-08
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA.
Nucleic Acids Res., 49, 2021
6YJB
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BU of 6yjb by Molmil
VcaM4I restriction endonuclease 5hmC-ssDNA complex
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*AP*(5HC)P*AP*G)-3'), GLYCEROL, ...
Authors:Pastor, M, Czapinska, H, Lutz, T, Helbrecht, I, Xu, S, Bochtler, M.
Deposit date:2020-04-02
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA.
Nucleic Acids Res., 49, 2021
6P1N
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BU of 6p1n by Molmil
Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and bound incoming dAMPNPP
Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
7KFA
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BU of 7kfa by Molmil
PCSK9 in complex with PCSK9i a 13mer cyclic peptide LDLR disruptor
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, ...
Authors:Chopra, R, Xu, M, Spraggon, G.
Deposit date:2020-10-13
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Identification of a PCSK9-LDLR disruptor peptide with in vivo function.
Cell Chem Biol, 29, 2022
8CO7
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BU of 8co7 by Molmil
Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-09066
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
Authors:Steegborn, C.
Deposit date:2023-02-27
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8Q7I
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BU of 8q7i by Molmil
PCNA from Chaetomium thermophilum in complex with Fen1 peptide
Descriptor: Flap endonuclease 1, Proliferating cell nuclear antigen, SODIUM ION
Authors:Alphey, M.S, Wolford, C.B, MacNeill, S.A.
Deposit date:2023-08-16
Release date:2023-12-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Canonical binding of Chaetomium thermophilum DNA polymerase delta / zeta subunit PolD3 and flap endonuclease Fen1 to PCNA.
Front Mol Biosci, 10, 2023
8Q7S
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BU of 8q7s by Molmil
Crystal structure of the SARS-CoV-2 RBD (Wuhan) with neutralizing VHHs Ma6F06 and Re21H01
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, GLYCEROL, ...
Authors:Guttler, T, Aksu, M, Gorlich, D.
Deposit date:2023-08-16
Release date:2023-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
6SMW
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BU of 6smw by Molmil
A. thaliana serine hydroxymethyltransferase isoform 2 (AtSHMT2) in complex with pemetrexed
Descriptor: 1,2-ETHANEDIOL, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Ruszkowski, M, Sekula, B, Dauter, Z.
Deposit date:2019-08-23
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models.
Sci Rep, 9, 2019
7KEV
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BU of 7kev by Molmil
PCSK9 in complex with a cyclic peptide LDLR disruptor
Descriptor: CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9 Propeptide, ...
Authors:Spraggon, G, Chopra, R.
Deposit date:2020-10-12
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of a PCSK9-LDLR disruptor peptide with in vivo function.
Cell Chem Biol, 29, 2022
6V2W
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BU of 6v2w by Molmil
Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J.
Deposit date:2019-11-25
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021

224572

數據於2024-09-04公開中

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