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3J9C
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BU of 3j9c by Molmil
CryoEM single particle reconstruction of anthrax toxin protective antigen pore at 2.9 Angstrom resolution
Descriptor: CALCIUM ION, Protective antigen PA-63
Authors:Jiang, J, Pentelute, B.L, Collier, R.J, Zhou, Z.H.
Deposit date:2014-12-25
Release date:2015-03-11
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Atomic structure of anthrax protective antigen pore elucidates toxin translocation.
Nature, 521, 2015
8IXB
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BU of 8ixb by Molmil
GMPCPP-Alpha1A/Beta2A-microtubule decorated with kinesin seam region
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ...
Authors:Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y.
Deposit date:2023-03-31
Release date:2023-08-16
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules.
Acta Biochim.Biophys.Sin., 55, 2023
8IXA
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BU of 8ixa by Molmil
GMPCPP-Alpha1A/Beta2A-microtubule decorated with kinesin non-seam region
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ...
Authors:Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y.
Deposit date:2023-03-31
Release date:2023-08-16
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules.
Acta Biochim.Biophys.Sin., 55, 2023
8B64
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BU of 8b64 by Molmil
Cryo-EM structure of RC-LH1-PufX photosynthetic core complex from Rba. capsulatus
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Bracun, L, Yamagata, A, Shirouzu, M, Liu, L.N.
Deposit date:2022-09-26
Release date:2023-02-01
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.589 Å)
Cite:Cryo-EM structure of a monomeric RC-LH1-PufX supercomplex with high-carotenoid content from Rhodobacter capsulatus.
Structure, 31, 2023
5EDG
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BU of 5edg by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(nc([nH]1)Cl)c2ccccc2)C4=NN(c3cccc(c3)OC(F)(F)F)C=CC4=O, micromolar IC50=0.029618
Descriptor: 3-(2-chloranyl-5-phenyl-1~{H}-imidazol-4-yl)-1-[3-(trifluoromethyloxy)phenyl]pyridazin-4-one, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Rudolph, M.G.
Deposit date:2015-10-21
Release date:2016-03-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
6Q60
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BU of 6q60 by Molmil
Structure of GluA2 ligand-binding domain (S1S2J) in complex with the agonist (S)-2-Amino-3-(2-methyl-5-hydroxy-2H-1,2,3-triazol-4-yl)propanoic acid at 1.55 A resolution
Descriptor: (2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Moellerud, S, Temperini, P, Kastrup, J.S.
Deposit date:2018-12-10
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Use of the 4-Hydroxytriazole Moiety as a Bioisosteric Tool in the Development of Ionotropic Glutamate Receptor Ligands.
J.Med.Chem., 62, 2019
5EDI
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BU of 5edi by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2(c(n1nc(nc1c(c2)C)CCc3nc(nn3C)N4CCCC4)C)Cl, micromolar IC50=0.000279
Descriptor: 6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Rudolph, M.G.
Deposit date:2015-10-21
Release date:2016-03-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
1HQ2
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BU of 1hq2 by Molmil
CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E.COLI HPPK(R82A) WITH MGAMPCPP AND 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 1.25 ANGSTROM RESOLUTION
Descriptor: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, ACETATE ION, ...
Authors:Blaszczyk, J, Ji, X.
Deposit date:2000-12-13
Release date:2003-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Dynamic Roles of Arginine Residues 82 and 92 of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase: Crystallographic Studies
Biochemistry, 42, 2003
8A2T
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BU of 8a2t by Molmil
Cryo-EM structure of F-actin in the Mg2+-ADP nucleotide state.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S.
Deposit date:2022-06-06
Release date:2022-08-10
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (2.24 Å)
Cite:Structural basis of actin filament assembly and aging.
Nature, 611, 2022
8A2Z
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BU of 8a2z by Molmil
Cryo-EM structure of F-actin in the Ca2+-ADP nucleotide state.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S.
Deposit date:2022-06-06
Release date:2022-08-10
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (2.15 Å)
Cite:Structural basis of actin filament assembly and aging.
Nature, 611, 2022
8A2Y
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BU of 8a2y by Molmil
Cryo-EM structure of F-actin in the Ca2+-ADP-Pi nucleotide state.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S.
Deposit date:2022-06-06
Release date:2022-08-10
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (2.15 Å)
Cite:Structural basis of actin filament assembly and aging.
Nature, 611, 2022
7MGZ
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BU of 7mgz by Molmil
Human CTPS1 bound to UTP, AMPPNP, and glutamine
Descriptor: CTP synthase 1, GLUTAMINE, MAGNESIUM ION, ...
Authors:Lynch, E.M, Dimattia, M.A, Kollman, J.M.
Deposit date:2021-04-14
Release date:2021-10-13
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for isoform-specific inhibition of human CTPS1.
Proc.Natl.Acad.Sci.USA, 118, 2021
8JE2
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BU of 8je2 by Molmil
Cryo-EM structure of neddylated Cul2-Rbx1-EloBC-FEM1B complexed with FNIP1-FLCN
Descriptor: Cullin-2, Elongin-B, Elongin-C, ...
Authors:Dai, Z, Liang, L, Yin, Y.X.
Deposit date:2023-05-15
Release date:2024-02-28
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.63 Å)
Cite:Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
8J5S
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BU of 8j5s by Molmil
Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the pre-catalytic intermediate state
Descriptor: Endogenous oligopeptide, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
Authors:Yang, X, Hu, T, Zhang, B, Rao, Z.
Deposit date:2023-04-24
Release date:2024-04-03
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3 Å)
Cite:An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
3KWV
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BU of 3kwv by Molmil
Structural basis for the unfolding of anthrax lethal factor by protective antigen oligomers
Descriptor: CALCIUM ION, Lethal factor, Protective antigen PA-63
Authors:Feld, G.K, Kintzer, A.F, Krantz, B.A.
Deposit date:2009-12-01
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Structural basis for the unfolding of anthrax lethal factor by protective antigen oligomers.
Nat.Struct.Mol.Biol., 17, 2010
1XLV
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BU of 1xlv by Molmil
Ethylphosphorylated Butyrylcholinesterase (Aged) Obtained By Reaction With Echothiophate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nachon, F, Asojo, O.A, Borgstahl, G.E.O, Masson, P, Lockridge, O.
Deposit date:2004-09-30
Release date:2005-02-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.247 Å)
Cite:Role of Water in Aging of Human Butyrylcholinesterase Inhibited by Echothiophate: The Crystal Structure Suggests Two Alternative Mechanisms of Aging
Biochemistry, 44, 2005
5EDH
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BU of 5edh by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n4c(C)n1c(nc(n1)CCc2nc(nn2C)N3CCCC3)c(c4)CC, micromolar IC50=0.0037753
Descriptor: 8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Rudolph, M.G.
Deposit date:2015-10-21
Release date:2016-03-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
1XLW
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BU of 1xlw by Molmil
Diethylphosphorylated Butyrylcholinesterase (Nonaged) Obtained By Reaction With Echothiophate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nachon, F, Asojo, O.A, Borgstahl, G.E.O, Masson, P, Lockridge, O.
Deposit date:2004-09-30
Release date:2005-02-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Role of Water in Aging of Human Butyrylcholinesterase Inhibited by Echothiophate: The Crystal Structure Suggests Two Alternative Mechanisms of Aging
Biochemistry, 44, 2005
2AIX
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BU of 2aix by Molmil
X-ray structure of the GLUR2 ligand-binding core (S1S2J) in complex with (s)-thio-atpa at 2.2 a resolution.
Descriptor: (S)-2-AMINO-3-(3-HYDROXY-5-TERT-BUTYLISOTHIAZOL-4-YL) PROPRIONIC ACID, Glutamate receptor 2
Authors:Kastrup, J.S.
Deposit date:2005-08-01
Release date:2005-08-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Distinct kinetics of ionotropic glutamate receptor 2 splice variants characterized by fast agonist application and crystallization of a receptor-ligand complex.
To be Published
5TKB
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BU of 5tkb by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 4D IN COMPLEX WITH A TETRAFLUORANLINE COMPOUND
Descriptor: ETHANOL, MAGNESIUM ION, N-[(2R)-2,3-dihydroxy-2-methylpropyl]-8-(methylamino)-6-[(2,3,5,6-tetrafluorophenyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide, ...
Authors:Sack, J.S.
Deposit date:2016-10-06
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Identification of imidazo[1,2-b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling.
Medchemcomm, 8, 2017
8XQW
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BU of 8xqw by Molmil
Cryo-EM structure of the Ycf2-FtsHi motor complex from Chlamydomonas reinhardtii in AMPPNP bound state
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ACP, ...
Authors:Liang, K, Zhan, X, Wu, J, Yan, Z.
Deposit date:2024-01-10
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Conservation and specialization of the Ycf2-FtsHi chloroplast protein import motor in green algae.
Cell, 2024
9IZ6
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BU of 9iz6 by Molmil
De Novo Designed Cell-Penetrating Peptide Self-Assembly Featuring Distinctive Tertiary Structure
Descriptor: GLYCEROL, LEU-LYS-LYS-LEU-CYS-LYS-LEU-LEU-LYS-LYS-LEU-CYS-LYS-LEU-ALA-GLY
Authors:Park, J, Hyun, S, Lee, S.J.
Deposit date:2024-07-31
Release date:2024-09-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:De Novo Designed Cell-Penetrating Peptide Self-Assembly Featuring Distinctive Tertiary Structure.
Acs Omega, 9, 2024
9CRB
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BU of 9crb by Molmil
Structure of Avt1, a novel peptide from the sea anemone Aulactinia veratra
Descriptor: Avt1 peptide
Authors:Albar, R, Sanches, K, Wai, D, Norton, R.
Deposit date:2024-07-22
Release date:2024-10-16
Method:SOLUTION NMR
Cite:Structure and functional studies of Avt1, a novel peptide from the sea anemone Aulactinia veratra.
Biochim Biophys Acta Proteins Proteom, 1873, 2024
9FFF
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BU of 9fff by Molmil
dsDNA-FANCD2-FANCI complex
Descriptor: DNA (32-MER), DNA (33-MER), Fanconi anemia complementation group I, ...
Authors:Alcon, P, Passmore, L.A.
Deposit date:2024-05-23
Release date:2024-07-31
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:FANCD2-FANCI surveys DNA and recognizes double- to single-stranded junctions.
Nature, 632, 2024
9FFB
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BU of 9ffb by Molmil
ss-dsDNA-FANCD2-FANCI complex
Descriptor: DNA (5'-D(P*CP*GP*AP*TP*GP*TP*CP*TP*CP*TP*AP*GP*AP*CP*AP*GP*CP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*GP*CP*TP*GP*TP*CP*TP*AP*GP*AP*GP*AP*CP*AP*TP*CP*GP*AP*T)-3'), Fanconi anemia complementation group I, ...
Authors:Alcon, P, Passmore, L.A.
Deposit date:2024-05-22
Release date:2024-07-31
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:FANCD2-FANCI surveys DNA and recognizes double- to single-stranded junctions.
Nature, 632, 2024

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