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PDB: 198 results

6DW7
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BU of 6dw7 by Molmil
SAMHD1 without Catalytic Nucleotides
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GLYCINE, ...
Authors:Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
Deposit date:2018-06-26
Release date:2018-10-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DW3
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BU of 6dw3 by Molmil
SAMHD1 Bound to Cytarabine-TP in the Catalytic Pocket
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
Deposit date:2018-06-26
Release date:2018-10-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DW5
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BU of 6dw5 by Molmil
SAMHD1 Bound to Gemcitabine-TP in the Catalytic Pocket
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
Deposit date:2018-06-26
Release date:2018-10-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8H87
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BU of 8h87 by Molmil
Cryo-EM structure of the potassium-selective channelrhodopsin HcKCR2 in lipid nanodisc
Descriptor: (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, HcKCR2, PALMITIC ACID, ...
Authors:Tajima, S, Kim, Y, Yamashita, K, Fukuda, M, Deisseroth, K, Kato, H.E.
Deposit date:2022-10-21
Release date:2023-09-06
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.53 Å)
Cite:Structural basis for ion selectivity in potassium-selective channelrhodopsins.
Cell, 186, 2023
8H86
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BU of 8h86 by Molmil
Cryo-EM structure of the potassium-selective channelrhodopsin HcKCR1 in lipid nanodisc
Descriptor: (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, HcKCR1, PALMITIC ACID, ...
Authors:Tajima, S, Kim, Y, Yamashita, K, Fukuda, M, Deisseroth, K, Kato, H.E.
Deposit date:2022-10-21
Release date:2023-09-06
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Structural basis for ion selectivity in potassium-selective channelrhodopsins.
Cell, 186, 2023
8IU0
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Cryo-EM structure of the potassium-selective channelrhodopsin HcKCR1 H225F mutant in lipid nanodisc
Descriptor: (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, HcKCR1, PALMITIC ACID, ...
Authors:Tajima, S, Kim, Y, Nakamura, S, Yamashita, K, Fukuda, M, Deisseroth, K, Kato, H.E.
Deposit date:2023-03-23
Release date:2023-09-06
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Structural basis for ion selectivity in potassium-selective channelrhodopsins.
Cell, 186, 2023
6V8Y
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BU of 6v8y by Molmil
Structure of a Sodium Potassium ion Channel
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
Authors:Roy, R, Weiss, K.L, Coates, L.
Deposit date:2019-12-12
Release date:2021-04-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural plasticity of the selectivity filter in a nonselective ion channel.
Iucrj, 8, 2021
7W9W
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BU of 7w9w by Molmil
2.02 angstrom cryo-EM structure of the pump-like channelrhodopsin ChRmine
Descriptor: CHOLESTEROL, ChRmine, PALMITIC ACID, ...
Authors:Kishi, K.E, Kim, Y, Fukuda, M, Yamashita, K, Deisseroth, K, Kato, H.E.
Deposit date:2021-12-11
Release date:2022-02-02
Last modified:2022-03-09
Method:ELECTRON MICROSCOPY (2 Å)
Cite:Structural basis for channel conduction in the pump-like channelrhodopsin ChRmine.
Cell, 185, 2022
8VJ0
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BU of 8vj0 by Molmil
Neutron Structure of Oxidized Trp161Phe MnSOD
Descriptor: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
Authors:Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
Deposit date:2024-01-05
Release date:2024-07-31
Last modified:2024-10-16
Method:NEUTRON DIFFRACTION (2.3 Å)
Cite:Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 2024
8VJ4
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BU of 8vj4 by Molmil
X-ray Counterpart to the Neutron Structure of Peroxide-Soaked Trp161Phe MnSOD
Descriptor: HYDROGEN PEROXIDE, MANGANESE (II) ION, Superoxide dismutase [Mn], ...
Authors:Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
Deposit date:2024-01-05
Release date:2024-07-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 2024
8VJ8
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BU of 8vj8 by Molmil
X-ray Counterpart to Neutron Structure of Reduced Trp161Phe MnSOD
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
Deposit date:2024-01-05
Release date:2024-07-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 2024
8VHW
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BU of 8vhw by Molmil
Neutron Structure of Peroxide-Soaked Trp161Phe MnSOD
Descriptor: HYDROGEN PEROXIDE, MANGANESE (II) ION, Superoxide dismutase [Mn], ...
Authors:Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Coates, L, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
Deposit date:2024-01-02
Release date:2024-07-31
Last modified:2024-10-16
Method:NEUTRON DIFFRACTION (2.3 Å)
Cite:Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 2024
8VJ5
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BU of 8vj5 by Molmil
Peroxide-Soaked MnSOD
Descriptor: HYDROGEN PEROXIDE, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
Deposit date:2024-01-05
Release date:2024-07-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 2024
8VHY
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BU of 8vhy by Molmil
Neutron Structure of Reduced Trp161Phe MnSOD
Descriptor: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
Authors:Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Coates, L, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
Deposit date:2024-01-02
Release date:2024-07-31
Last modified:2024-10-16
Method:NEUTRON DIFFRACTION (2.3 Å)
Cite:Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 2024
7PEQ
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BU of 7peq by Molmil
Model of the outer rings of the human nuclear pore complex
Descriptor: Nuclear pore complex protein Nup107, Nuclear pore complex protein Nup133, Nuclear pore complex protein Nup160, ...
Authors:Schuller, A.P, Wojtynek, M, Mankus, D, Tatli, M, Kronenberg-Tenga, R, Regmi, S.G, Dasso, M, Weis, K, Medalia, O, Schwartz, T.U.
Deposit date:2021-08-11
Release date:2021-10-20
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (35 Å)
Cite:The cellular environment shapes the nuclear pore complex architecture.
Nature, 598, 2021
7PER
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BU of 7per by Molmil
Model of the inner ring of the human nuclear pore complex
Descriptor: Nuclear pore complex protein Nup155, Nuclear pore complex protein Nup205, Nuclear pore complex protein Nup93, ...
Authors:Schuller, A.P, Wojtynek, M, Mankus, D, Tatli, M, Kronenberg-Tenga, R, Regmi, S.G, Dasso, M, Weis, K, Medalia, O, Schwartz, T.U.
Deposit date:2021-08-11
Release date:2021-10-20
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (35 Å)
Cite:The cellular environment shapes the nuclear pore complex architecture.
Nature, 598, 2021
7PNE
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BU of 7pne by Molmil
Parallel Q-D hybrid with 3' duplex stem-loop as a lateral snapback loop
Descriptor: TTAMycdup-3sbl
Authors:Vianney, Y.M, Weisz, K.
Deposit date:2021-09-06
Release date:2021-12-29
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Indoloquinoline Ligands Favor Intercalation at Quadruplex-Duplex Interfaces.
Chemistry, 28, 2022
6YO1
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BU of 6yo1 by Molmil
Crystal structure of ribonuclease A solved by vanadium SAD phasing
Descriptor: Ribonuclease pancreatic, URIDINE-2',3'-VANADATE
Authors:El Omari, K, Mohamad, N, Bountra, K, Duman, R, Romano, M, Schlegel, K, Kwong, H, Mykhaylyk, V, Olesen, C.E, Moller, J.V, Bublitz, M, Beis, K, Wagner, A.
Deposit date:2020-04-14
Release date:2020-11-04
Last modified:2020-12-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Experimental phasing with vanadium and application to nucleotide-binding membrane proteins.
Iucrj, 7, 2020
6YSO
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BU of 6yso by Molmil
Crystal structure of the (SR) Ca2+-ATPase solved by vanadium SAD phasing
Descriptor: CHLORIDE ION, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ...
Authors:El Omari, K, Mohamad, N, Bountra, K, Duman, R, Romano, M, Schlegel, K, Kwong, H, Mykhaylyk, V, Olesen, C.E, Moller, J.V, Bublitz, M, Beis, K, Wagner, A.
Deposit date:2020-04-22
Release date:2020-11-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Experimental phasing with vanadium and application to nucleotide-binding membrane proteins.
Iucrj, 7, 2020
5YNX
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BU of 5ynx by Molmil
Structure of house dust mite allergen Der f 21 in PEG400
Descriptor: Allergen Der f 21, BETA-MERCAPTOETHANOL, GLYCEROL, ...
Authors:Ng, C.L, Chew, F.T, Pang, S.L, Ho, K.L, Teh, A.H, Waterman, J, Rambo, R, Mathavan, I, Beis, K, Say, Y.H.
Deposit date:2017-10-25
Release date:2019-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Crystal structure and epitope analysis of house dust mite allergen Der f 21.
Sci Rep, 9, 2019
7PNG
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BU of 7png by Molmil
Solution structure of 1:1 complex of an indoloquinoline derivative SYUIQ-5 to parallel quadruplex-duplex (Q-D) hybrid
Descriptor: DNA (37-MER), ~{N}-(5~{H}-indolo[3,2-b]quinolin-11-yl)-~{N}',~{N}'-dimethyl-propane-1,3-diamine
Authors:Vianney, Y.M, Weisz, K.
Deposit date:2021-09-06
Release date:2021-12-29
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Indoloquinoline Ligands Favor Intercalation at Quadruplex-Duplex Interfaces.
Chemistry, 28, 2022
7PZF
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BU of 7pzf by Molmil
Crystal structure of the OmpK36 TD insertion chimera from Klebsiella pneumonia
Descriptor: LITHIUM ION, OmpK36, TETRADECANE
Authors:Kwong, H, Beis, K.
Deposit date:2021-10-12
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Widespread emergence of OmpK36 loop 3 insertions among multidrug-resistant clones of Klebsiella pneumoniae.
Plos Pathog., 18, 2022
7Q3T
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BU of 7q3t by Molmil
Crystal structure of the OmpK36 D insertion chimera from Klebsiella pneumonia
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LITHIUM ION, OmpK36
Authors:Kwong, H, Beis, K.
Deposit date:2021-10-28
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.788 Å)
Cite:Widespread emergence of OmpK36 loop 3 insertions among multidrug-resistant clones of Klebsiella pneumoniae.
Plos Pathog., 18, 2022
8QKX
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BU of 8qkx by Molmil
Solution structure of a bimolecular quadruplex-duplex hybrid containing a V-shaped loop
Descriptor: DNA (5'-D(*CP*TP*CP*CP*AP*GP*CP*TP*GP*GP*GP*TP*GP*AP*GP*GP*GP*GP*CP*TP*GP*GP*GP*T)-3'), DNA (5'-D(*TP*TP*GP*GP*AP*GP*CP*TP*GP*GP*AP*GP*TP*T)-3')
Authors:Vianney, Y.M, Weisz, K.
Deposit date:2023-09-18
Release date:2024-02-07
Method:SOLUTION NMR
Cite:Structural Aspects of Split G-Quadruplexes in Quadruplex-Duplex Hybrid Systems
Chemistryselect, 2024
8RQ4
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BU of 8rq4 by Molmil
Cryo-em structure of the rat Multidrug resistance-associated protein 2 (rMrp2) in complex with probenecid
Descriptor: 4-(dipropylsulfamoyl)benzoic acid, ATP-binding cassette sub-family C member 2, CHOLESTEROL HEMISUCCINATE
Authors:Mazza, T, Beis, K.
Deposit date:2024-01-17
Release date:2024-02-14
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structural basis for the modulation of MRP2 activity by phosphorylation and drugs.
Nat Commun, 15, 2024

226707

數據於2024-10-30公開中

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