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PDB: 197 件

6DWJ
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BU of 6dwj by Molmil
SAMHD1 Bound to Vidarabine-TP in the Catalytic Pocket
分子名称: 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, ...
著者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.
登録日2018-06-26
公開日2018-10-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: 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, ...
著者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.
登録日2018-06-26
公開日2018-10-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称: 2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者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.
登録日2018-06-26
公開日2018-10-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献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
分子名称: 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, ...
著者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.
登録日2018-06-26
公開日2018-10-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: CHOLESTEROL, ChRmine, PALMITIC ACID, ...
著者Kishi, K.E, Kim, Y, Fukuda, M, Yamashita, K, Deisseroth, K, Kato, H.E.
登録日2021-12-11
公開日2022-02-02
最終更新日2022-03-09
実験手法ELECTRON MICROSCOPY (2 Å)
主引用文献Structural basis for channel conduction in the pump-like channelrhodopsin ChRmine.
Cell, 185, 2022
6V8Y
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Structure of a Sodium Potassium ion Channel
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
著者Roy, R, Weiss, K.L, Coates, L.
登録日2019-12-12
公開日2021-04-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献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
分子名称: CHLORIDE ION, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ...
著者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.
登録日2020-04-22
公開日2020-11-04
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献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
分子名称: Nuclear pore complex protein Nup155, Nuclear pore complex protein Nup205, Nuclear pore complex protein Nup93, ...
著者Schuller, A.P, Wojtynek, M, Mankus, D, Tatli, M, Kronenberg-Tenga, R, Regmi, S.G, Dasso, M, Weis, K, Medalia, O, Schwartz, T.U.
登録日2021-08-11
公開日2021-10-20
最終更新日2021-11-24
実験手法ELECTRON MICROSCOPY (35 Å)
主引用文献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
分子名称: Ribonuclease pancreatic, URIDINE-2',3'-VANADATE
著者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.
登録日2020-04-14
公開日2020-11-04
最終更新日2020-12-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: Nuclear pore complex protein Nup107, Nuclear pore complex protein Nup133, Nuclear pore complex protein Nup160, ...
著者Schuller, A.P, Wojtynek, M, Mankus, D, Tatli, M, Kronenberg-Tenga, R, Regmi, S.G, Dasso, M, Weis, K, Medalia, O, Schwartz, T.U.
登録日2021-08-11
公開日2021-10-20
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (35 Å)
主引用文献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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Transporter
著者Langan, P.S, Vandavasi, V.G, Sullivan, B, Afonine, P.V, Weiss, K.L.
登録日2019-09-24
公開日2020-08-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献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
分子名称: Multidrug efflux pump subunit AcrB
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Qu, F, Beis, K, Wagner, A.
登録日2023-07-22
公開日2023-10-25
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献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
分子名称: 2-AMINOETHANESULFONIC ACID, IODIDE ION, Taurine ABC transporter substrate-binding protein
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Qu, F, Beis, K, Wagner, A.
登録日2023-07-23
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献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
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, OmpK36
著者Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Kwong, H, Beis, K, Wagner, A.
登録日2023-07-26
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
分子名称: MAGNESIUM ION, Microcin-J25 export ATP-binding/permease protein McjD, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Bountra, K, Beis, K, Wagner, A.
登録日2023-07-22
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
分子名称: L-URIDINE-5'-MONOPHOSPHATE, Ribonuclease pancreatic
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Romano, M, Beis, K, Wagner, A.
登録日2023-07-22
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: TTAMycdup-3sbl
著者Vianney, Y.M, Weisz, K.
登録日2021-09-06
公開日2021-12-29
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献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
分子名称: Allergen Der f 21, BETA-MERCAPTOETHANOL, GLYCEROL, ...
著者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.
登録日2017-10-25
公開日2019-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献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
分子名称: GtACR1, OLEIC ACID, RETINAL
著者Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K.
登録日2018-03-21
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural mechanisms of selectivity and gating in anion channelrhodopsins.
Nature, 561, 2018
6CSN
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Crystal structure of the designed light-gated anion channel iC++ at pH8.5
分子名称: CHLORIDE ION, OLEIC ACID, RETINAL, ...
著者Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K.
登録日2018-03-21
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
分子名称: OLEIC ACID, RETINAL, iC++
著者Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K.
登録日2018-03-21
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献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
分子名称: DNA (37-MER), ~{N}-(5~{H}-indolo[3,2-b]quinolin-11-yl)-~{N}',~{N}'-dimethyl-propane-1,3-diamine
著者Vianney, Y.M, Weisz, K.
登録日2021-09-06
公開日2021-12-29
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献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
分子名称: 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')
著者Vianney, Y.M, Weisz, K.
登録日2023-09-18
公開日2024-02-07
実験手法SOLUTION NMR
主引用文献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
分子名称: LITHIUM ION, OmpK36, TETRADECANE
著者Kwong, H, Beis, K.
登録日2021-10-12
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献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
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LITHIUM ION, OmpK36
著者Kwong, H, Beis, K.
登録日2021-10-28
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.788 Å)
主引用文献Widespread emergence of OmpK36 loop 3 insertions among multidrug-resistant clones of Klebsiella pneumoniae.
Plos Pathog., 18, 2022

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件を2024-07-17に公開中

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