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PDB: 197 results

6DWJ
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BU of 6dwj by Molmil
SAMHD1 Bound to Vidarabine-TP in the Catalytic Pocket
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine, 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:2018-10-24
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
6DWD
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BU of 6dwd by Molmil
SAMHD1 Bound to Clofarabine-TP in the Catalytic Pocket and Allosteric Pocket
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, 9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me thyl-9H-purin-6-amine, 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 (1.7 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
6DW4
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BU of 6dw4 by Molmil
SAMHD1 Bound to Cladribine-TP in the Catalytic Pocket and Allosteric Pocket
Descriptor: 2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
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 (1.99 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
6DWK
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BU of 6dwk by Molmil
SAMHD1 Bound to Fludarabine-TP in the Catalytic Pocket
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a mine, ...
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 (2.3 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
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
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
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
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:2021-11-24
Method:ELECTRON MICROSCOPY (35 Å)
Cite:The cellular environment shapes the nuclear pore complex architecture.
Nature, 598, 2021
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
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
6UFE
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BU of 6ufe by Molmil
The structure of a potassium selective ion channel at atomic resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Transporter
Authors:Langan, P.S, Vandavasi, V.G, Sullivan, B, Afonine, P.V, Weiss, K.L.
Deposit date:2019-09-24
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The structure of a potassium-selective ion channel reveals a hydrophobic gate regulating ion permeation.
Iucrj, 7, 2020
8PX7
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BU of 8px7 by Molmil
Structure of Bacterial Multidrug Efflux transporter AcrB, solved at wavelength 3.02 A
Descriptor: Multidrug efflux pump subunit AcrB
Authors:El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Qu, F, Beis, K, Wagner, A.
Deposit date:2023-07-22
Release date:2023-10-25
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PXH
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BU of 8pxh by Molmil
Structure of TauA from E. coli, solved at wavelength 2.375 A
Descriptor: 2-AMINOETHANESULFONIC ACID, IODIDE ION, Taurine ABC transporter substrate-binding protein
Authors:El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Qu, F, Beis, K, Wagner, A.
Deposit date:2023-07-23
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PYZ
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BU of 8pyz by Molmil
Structure of Ompk36GD from Klebsiella pneumonia, solved at wavelength 4.13 A
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, OmpK36
Authors:Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Kwong, H, Beis, K, Wagner, A.
Deposit date:2023-07-26
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PX9
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BU of 8px9 by Molmil
Structure of the antibacterial peptide ABC transporter McjD, solved at wavelength 2.75 A
Descriptor: MAGNESIUM ION, Microcin-J25 export ATP-binding/permease protein McjD, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Bountra, K, Beis, K, Wagner, A.
Deposit date:2023-07-22
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PX0
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BU of 8px0 by Molmil
Structure of ribonuclease A, solved at wavelength 2.75 A
Descriptor: L-URIDINE-5'-MONOPHOSPHATE, Ribonuclease pancreatic
Authors:El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Romano, M, Beis, K, Wagner, A.
Deposit date:2023-07-22
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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
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
6CSM
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BU of 6csm by Molmil
Crystal structure of the natural light-gated anion channel GtACR1
Descriptor: GtACR1, OLEIC ACID, RETINAL
Authors:Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K.
Deposit date:2018-03-21
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural mechanisms of selectivity and gating in anion channelrhodopsins.
Nature, 561, 2018
6CSN
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BU of 6csn by Molmil
Crystal structure of the designed light-gated anion channel iC++ at pH8.5
Descriptor: CHLORIDE ION, OLEIC ACID, RETINAL, ...
Authors:Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K.
Deposit date:2018-03-21
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural mechanisms of selectivity and gating in anion channelrhodopsins.
Nature, 561, 2018
6CSO
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BU of 6cso by Molmil
Crystal structure of the designed light-gated anion channel iC++ at pH6.5
Descriptor: OLEIC ACID, RETINAL, iC++
Authors:Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K.
Deposit date:2018-03-21
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural mechanisms of selectivity and gating in anion channelrhodopsins.
Nature, 561, 2018
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
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
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

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数据于2024-07-17公开中

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