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6FCP
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BU of 6fcp by Molmil
Crystal structure of 14-3-3 sigma in complex with Shroom3 P1244L
分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
著者Leysen, S, Meijer, F.A, Milroy, L.G, Ottmann, C.
登録日2017-12-20
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Characterization of Coding/Noncoding Variants forSHROOM3in Patients with CKD.
J. Am. Soc. Nephrol., 29, 2018
7KR9
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BU of 7kr9 by Molmil
Bifunctional enzyme GlmU bound to Zn(II)
分子名称: ACETYL COENZYME *A, Bifunctional protein GlmU, CALCIUM ION, ...
著者Maher, M.J.
登録日2020-11-19
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dysregulation of Streptococcus pneumoniae zinc homeostasis breaks ampicillin resistance in a pneumonia infection model.
Cell Rep, 38, 2022
7KJL
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BU of 7kjl by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Salicylic acid
分子名称: 2-HYDROXYBENZOIC ACID, SULFATE ION, Transcriptional regulator, ...
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-10-26
公開日2021-12-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
6H7X
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BU of 6h7x by Molmil
First X-ray structure of full-length human RuvB-Like 2.
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Silva, S, Brito, J.A, Matias, P, Bandeiras, T.
登録日2018-07-31
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.892 Å)
主引用文献X-ray structure of full-length human RuvB-Like 2 - mechanistic insights into coupling between ATP binding and mechanical action.
Sci Rep, 8, 2018
6Q7F
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BU of 6q7f by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL18
分子名称: 3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-12-13
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.204 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
6H8A
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BU of 6h8a by Molmil
MamM CTD D249N - Cadmium form
分子名称: BETA-MERCAPTOETHANOL, CADMIUM ION, Magnetosome protein MamM, ...
著者Barber-Zucker, S, Zarivach, R.
登録日2018-08-02
公開日2019-08-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献MamM CTD D249N - Cadmium form
To Be Published
6H8G
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BU of 6h8g by Molmil
MamM CTD H264E - Cadmium form 1
分子名称: BETA-MERCAPTOETHANOL, CADMIUM ION, Magnetosome protein MamM, ...
著者Barber-Zucker, S, Zarivach, R.
登録日2018-08-02
公開日2019-08-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献MamM CTD H264E - Cadmium form 1
To Be Published
6D1M
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BU of 6d1m by Molmil
Design, synthesis, and X-ray of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects
分子名称: 4-(cyclohexylselanyl)benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Peat, T.S, Angeli, A, di Cesare Mannelli, L, Micheli, L, Ghelardini, C, Supuran, C.T.
登録日2018-04-12
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Design, synthesis and X-ray crystallography of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects.
Eur J Med Chem, 154, 2018
6QCL
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BU of 6qcl by Molmil
Citryl-CoA lyase core module of Chlorobium limicola ATP citrate lyase in complex with acetyl-CoA and L-malate
分子名称: (2S)-2-hydroxybutanedioic acid, ACETYL COENZYME *A, ATP-citrate lyase alpha-subunit, ...
著者Verstraete, K, Verschueren, K.
登録日2018-12-28
公開日2019-04-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
7QHV
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BU of 7qhv by Molmil
Crystal structure of the sulfoquinovosyl binding protein SmoF complexed with sulfoquinovosyl diacylglycerol
分子名称: GLYCINE, Sulfoquinovosyl binding protein, [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-[(2~{S})-3-butanoyloxy-2-heptanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
著者Snow, A, Davies, G.J.
登録日2021-12-14
公開日2022-04-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献The sulfoquinovosyl glycerol binding protein SmoF binds and accommodates plant sulfolipids.
Curr Res Struct Biol, 4, 2022
7KRH
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BU of 7krh by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus with S28A and R46A mutations
分子名称: SULFATE ION, Transcriptional regulator, MarR family
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-11-19
公開日2021-12-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
6YNE
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BU of 6yne by Molmil
GAPDH purified from the supernatant of HEK293F cells: crystal form 2 of 4.
分子名称: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Glyceraldehyde-3-phosphate dehydrogenase
著者Roversi, P, Lia, A.
登録日2020-04-13
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Partial catalytic Cys oxidation of human GAPDH to Cys-sulfonic acid.
Wellcome Open Res, 5, 2020
7KKI
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BU of 7kki by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to 2,4-Dichlorophenoxyacetic acid
分子名称: (2,4-DICHLOROPHENOXY)ACETIC ACID, SULFATE ION, Transcriptional regulator, ...
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-10-27
公開日2021-12-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
8SPD
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BU of 8spd by Molmil
Cytochrome P450 (CYP) 3A4 crystallized with clotrimazole
分子名称: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Hsu, M.H, Johnson, E.F.
登録日2023-05-02
公開日2023-10-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4.
Drug Metab.Dispos., 51, 2023
6H9X
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BU of 6h9x by Molmil
Klebsiella pneumoniae Seryl-tRNA Synthetase in Complex with the Intermediate Analog 5'-O-(N-(L-Seryl)-Sulfamoyl)Adenosine
分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, CALCIUM ION, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2018-08-06
公開日2019-05-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Acylated sulfonamide adenosines as potent inhibitors of the adenylate-forming enzyme superfamily.
Eur.J.Med.Chem., 174, 2019
7QXZ
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BU of 7qxz by Molmil
X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 5
分子名称: 2-[(3S)-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O, Brandstetter, H, Pautsch, A.
登録日2022-01-27
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
6PUI
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BU of 6pui by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-4'OH-Butyl-5-OP-U
分子名称: 6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, GLYCEROL, ...
著者Awad, W, Keller, A.N, Rossjohn, J.
登録日2019-07-18
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6HA7
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BU of 6ha7 by Molmil
Crystal structure of the BiP NBD and MANF complex
分子名称: 1,2-ETHANEDIOL, Endoplasmic reticulum chaperone BiP, Mesencephalic astrocyte-derived neurotrophic factor
著者Yan, Y, Ron, D.
登録日2018-08-07
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP.
Nat Commun, 10, 2019
6FCH
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BU of 6fch by Molmil
Crystal Structure of Human APRT wild type in complex with PRPP and Mg2+
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Adenine phosphoribosyltransferase, MAGNESIUM ION
著者Nioche, P, Huyet, J, Ozeir, M.
登録日2017-12-20
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural Insights into the Forward and Reverse Enzymatic Reactions in Human Adenine Phosphoribosyltransferase.
Cell Chem Biol, 25, 2018
6FG2
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BU of 6fg2 by Molmil
CRYSTAL STRUCTURE OF FAB OF NATALIZUMAB IN COMPLEX WITH FAB OF NAA84.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEAVY CHAIN FAB NAA84, HEAVY CHAIN FAB NATALIZUMAB, ...
著者Bertrand, T, Pouzieux, S.
登録日2018-01-09
公開日2019-07-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.788 Å)
主引用文献A single T cell epitope drives the neutralizing anti-drug antibody response to natalizumab in multiple sclerosis patients.
Nat. Med., 25, 2019
6CHB
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BU of 6chb by Molmil
Crystal structure of a natively-glycosylated BG505 SOSIP.664 HIV-1 Envelope Trimer in complex with the broadly-neutralizing antibodies BG18 and IOMA
分子名称: BG18 Heavy Chain, BG18 Light Chain, Envelope glycoprotein gp120, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2018-02-22
公開日2018-05-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (6.801 Å)
主引用文献Structural characterization of a highly-potent V3-glycan broadly neutralizing antibody bound to natively-glycosylated HIV-1 envelope.
Nat Commun, 9, 2018
5GW1
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BU of 5gw1 by Molmil
Crystal structure of SNX16 PX-Coiled coil in space group P212121
分子名称: Sorting nexin-16
著者Xu, J, Liu, J.
登録日2016-09-08
公開日2017-09-13
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献SNX16 Regulates the Recycling of E-Cadherin through a Unique Mechanism of Coordinated Membrane and Cargo Binding.
Structure, 25, 2017
6FGK
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BU of 6fgk by Molmil
Crystal structure of the small alarmone synthethase 2 from Bacillus subtilis
分子名称: GTP pyrophosphokinase YwaC
著者Bange, G, Vogt, M, Steinchen, W, Altegoer, F.
登録日2018-01-11
公開日2018-02-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural and mechanistic divergence of the small (p)ppGpp synthetases RelP and RelQ.
Sci Rep, 8, 2018
6CI2
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BU of 6ci2 by Molmil
Crystal structure of the formyltransferase PseJ from Anoxybacillus kamchatkensis
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, formyltransferase PseJ
著者Reimer, J.M, Jiang, J, Harb, I, Schmeing, T.M.
登録日2018-02-23
公開日2018-10-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural Insight into a Novel Formyltransferase and Evolution to a Nonribosomal Peptide Synthetase Tailoring Domain.
ACS Chem. Biol., 13, 2018
7QK7
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BU of 7qk7 by Molmil
Crystal structure of the APO form of ALDH1A3
分子名称: Aldehyde dehydrogenase family 1 member A3, DI(HYDROXYETHYL)ETHER, GLYCEROL
著者Castellvi, A, Farres, J.
登録日2021-12-17
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.289 Å)
主引用文献Structural and biochemical evidence that ATP inhibits the cancer biomarker human aldehyde dehydrogenase 1A3.
Commun Biol, 5, 2022

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件を2024-08-28に公開中

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