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7Z2R
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BU of 7z2r by Molmil
Differences between the GluD1 and GluD2 receptors revealed by GluD1 X-ray crystallography, binding studies and molecular dynamics
Descriptor: Glutamate receptor ionotropic, delta-1, SULFATE ION
Authors:Masternak, M, Laulumaa, S, Kastrup, J.S.
Deposit date:2022-02-28
Release date:2023-01-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.574 Å)
Cite:Differences between the GluD1 and GluD2 receptors revealed by GluD1 X-ray crystallography, binding studies and molecular dynamics.
Febs J., 290, 2023
6DQY
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BU of 6dqy by Molmil
Crystal Structure analysis of Superoxide Dismutase from Trichoderma reesei
Descriptor: MANGANESE (II) ION, Superoxide dismutase
Authors:Mendoza, E.R, Stelmastchuk, L.B.F, Ferreira Junior, J.R.S, Garratt, R.C.
Deposit date:2018-06-11
Release date:2018-12-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Superoxide Dismutase from Trichoderma reesei
To Be Published
7PY2
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BU of 7py2 by Molmil
Structure of pathological TDP-43 filaments from ALS with FTLD
Descriptor: TAR DNA-binding protein 43
Authors:Arseni, D, Hasegawa, H, Murzin, A.G, Kametani, F, Arai, M, Yoshida, M, Falcon, B.
Deposit date:2021-10-08
Release date:2021-12-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Structure of pathological TDP-43 filaments from ALS with FTLD.
Nature, 601, 2022
7PXG
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BU of 7pxg by Molmil
Verruculogen-bound Drosophila Slo channel
Descriptor: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CALCIUM ION, CHOLESTEROL, ...
Authors:Raisch, T, Brockmann, A, Ebbinghaus-Kintscher, U, Freigang, J, Gutbrod, O, Kubicek, J, Maertens, B, Hofnagel, O, Raunser, S.
Deposit date:2021-10-08
Release date:2021-12-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM.
Nat Commun, 12, 2021
7PXF
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BU of 7pxf by Molmil
Ca2+ free Drosophila Slo channel
Descriptor: Isoform J of Calcium-activated potassium channel slowpoke, MAGNESIUM ION, POTASSIUM ION
Authors:Raisch, T, Brockmann, A, Ebbinghaus-Kintscher, U, Freigang, J, Gutbrod, O, Kubicek, J, Maertens, B, Hofnagel, O, Raunser, S.
Deposit date:2021-10-08
Release date:2021-12-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM.
Nat Commun, 12, 2021
7PXE
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BU of 7pxe by Molmil
Ca2+ bound Drosophila Slo channel
Descriptor: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CALCIUM ION, CHOLESTEROL, ...
Authors:Raisch, T, Brockmann, A, Ebbinghaus-Kintscher, U, Freigang, J, Gutbrod, O, Kubicek, J, Maertens, B, Hofnagel, O, Raunser, S.
Deposit date:2021-10-08
Release date:2021-12-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.38 Å)
Cite:Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM.
Nat Commun, 12, 2021
7PQP
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BU of 7pqp by Molmil
tau-microtubule structural ensemble based on CryoEM data
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Isoform Tau-F of Microtubule-associated protein tau, ...
Authors:Brotzakis, Z.F, Vendruscolo, M.
Deposit date:2021-09-18
Release date:2021-12-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:A Structural Ensemble of a Tau-Microtubule Complex Reveals Regulatory Tau Phosphorylation and Acetylation Mechanisms.
Acs Cent.Sci., 7, 2021
7PQC
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BU of 7pqc by Molmil
tau-microtubule structural ensemble based on CryoEM data
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Isoform Tau-F of Microtubule-associated protein tau, ...
Authors:Brotzakis, Z.F, Vendruscolo, M.
Deposit date:2021-09-16
Release date:2021-12-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:A Structural Ensemble of a Tau-Microtubule Complex Reveals Regulatory Tau Phosphorylation and Acetylation Mechanisms.
Acs Cent.Sci., 7, 2021
6DIA
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BU of 6dia by Molmil
DNA polymerase beta substrate complex with templating cytosine and incoming Fapy-dGTP analog
Descriptor: 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol, CALCIUM ION, DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Freudenthal, B.D, Smith, M.R, Wilson, S.H, Beard, W.A.
Deposit date:2018-05-23
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.969 Å)
Cite:A guardian residue hinders insertion of a Fapy•dGTP analog by modulating the open-closed DNA polymerase transition.
Nucleic Acids Res., 47, 2019
6DXR
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BU of 6dxr by Molmil
Structure of the Monoclinic-2 (Monocl-2) Crystal Form of Human Apolipoprotein C1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Apolipoprotein C-I
Authors:McPherson, A.
Deposit date:2018-06-29
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of human apolipoprotein C-1 in four different crystal forms.
J. Lipid Res., 60, 2019
7Z88
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BU of 7z88 by Molmil
DNA-PK in the intermediate state
Descriptor: (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol, DNA (26-MER), DNA-dependent protein kinase catalytic subunit, ...
Authors:Liang, S, Blundell, T.L.
Deposit date:2022-03-16
Release date:2023-01-18
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Human DNA-dependent protein kinase activation mechanism.
Nat.Struct.Mol.Biol., 30, 2023
7Z87
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BU of 7z87 by Molmil
DNA-PK in the active state
Descriptor: (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol, DNA (26-MER), DNA-dependent protein kinase catalytic subunit, ...
Authors:Liang, S, Blundell, T.L.
Deposit date:2022-03-16
Release date:2023-01-18
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Human DNA-dependent protein kinase activation mechanism.
Nat.Struct.Mol.Biol., 30, 2023
6D5B
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BU of 6d5b by Molmil
Structure of Caldicellulosiruptor danielii CBM3 module of glycoside hydrolase WP_045175321
Descriptor: CALCIUM ION, glycoside hydrolase WP_045175321
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2018-04-19
Release date:2019-04-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel multidomain, multifunctional glycoside hydrolases from highly lignocellulolytic Caldicellulosiruptor species
AIChE J., 2019
6DL8
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BU of 6dl8 by Molmil
Crystal Structure of an influenza A hemagglutinin antibody Fab variant CH67:1203d4 chimera
Descriptor: CH67:1203d4 FAB light chain, Ch67:1203d4 FAB heavy chain
Authors:Dong, J, Finn, J.A, Crowe, J.E.
Deposit date:2018-05-31
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.805 Å)
Cite:Identification of Structurally Related Antibodies in Antibody Sequence Databases Using Rosetta-Derived Position-Specific Scoring.
Structure, 28, 2020
6D7F
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BU of 6d7f by Molmil
Bacteroides uniformis beta-glucuronidase 1 bound to thiophenyl-beta-D-glucuronide
Descriptor: Beta-galactosidase/beta-glucuronidase, CHLORIDE ION, GLYCEROL, ...
Authors:Walton, W.G, Pellock, S.J, Redinbo, M.R.
Deposit date:2018-04-24
Release date:2018-10-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis.
J. Biol. Chem., 293, 2018
6D9A
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BU of 6d9a by Molmil
Crystal structure of Corynebacterium diphtheriae UDP-galactopyranose mutase in complex with UDP-GalNAc (open, reduced)
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ISOPROPYL ALCOHOL, SODIUM ION, ...
Authors:Wangkanont, K, Kiessling, L.L, Forest, K.T.
Deposit date:2018-04-28
Release date:2019-05-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Substrate recognition by FAD in UDP-galactopyranose mutase
To be published
6DOB
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BU of 6dob by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 200 s at 21 C
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.343 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6DOL
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BU of 6dol by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 25 mM K+ for 120 s at 21 C (dataset 2)
Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), 5'-R(P*CP*G)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.433 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6DOZ
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BU of 6doz by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 1 mM Mg2+ and 75 mM K+ for 40 s at 21 C
Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.573 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6DPE
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BU of 6dpe by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 20 mM Mn2+ and 200 mM K+ for 40 s at 21 C
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6D5D
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BU of 6d5d by Molmil
Structure of Caldicellulosiruptor danielii GH48 module of glycoside hydrolase WP_045175321
Descriptor: CALCIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, glycoside hydrolase WP_045175321
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2018-04-19
Release date:2019-04-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Novel multidomain, multifunctional glycoside hydrolases from highly lignocellulolytic Caldicellulosiruptor species
AIChE J., 2019
6DQ7
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BU of 6dq7 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE POTENTIAL HYDROLYSIS PRODUCT OF INHIBITOR N45 i.e. 3-((6-(4-(2-cyano-3-methylbut-2-enoyl)-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Linked KDM5A Jmj Domain, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Structure-based Engineering of Reversible Covalent Inhibitors Against Histone Lysine Demethylase 5A
To Be Published
6DR2
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BU of 6dr2 by Molmil
Ca2+-bound human type 3 1,4,5-inositol trisphosphate receptor
Descriptor: CALCIUM ION, Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION
Authors:Hite, R.K, Paknejad, N.
Deposit date:2018-06-11
Release date:2018-07-18
Last modified:2018-08-15
Method:ELECTRON MICROSCOPY (4.33 Å)
Cite:Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3.
Nat. Struct. Mol. Biol., 25, 2018
6DUR
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BU of 6dur by Molmil
Citrobacter freundii tyrosine phenol-lyase complexed with L-phenylalanine
Descriptor: (2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-phenylpropanoic acid, (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-phenylalanine, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ...
Authors:Phillips, R.S.
Deposit date:2018-06-21
Release date:2018-10-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Wild-Type and F448A Mutant Citrobacter freundii Tyrosine Phenol-Lyase Complexed with a Substrate and Inhibitors: Implications for the Reaction Mechanism.
Biochemistry, 57, 2018
6DEC
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BU of 6dec by Molmil
Crystal structure of Bos taurus Arp2/3 complex binding with C-terminus of Homo sapiens SPIN90
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, ...
Authors:Nolen, B.J, Luan, Q.
Deposit date:2018-05-11
Release date:2018-10-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.6 Å)
Cite:Structure of the nucleation-promoting factor SPIN90 bound to the actin filament nucleator Arp2/3 complex.
EMBO J., 37, 2018

223790

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