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7ZO0
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Crystal structure of catalytic inactive unliganded form of FucOB, a GH95 family alpha-1,2-fucosidase from Akkermansia muciniphila
分子名称: GH95 family alpha-1,2-fucosidase, GLYCEROL
著者Anso, I, Cifuente, J.O, Trastoy, B, Guerin, M.E.
登録日2022-04-23
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Turning universal O into rare Bombay type blood.
Nat Commun, 14, 2023
6AO0
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CAT192 Fab Insertion Mutant H2/L2
分子名称: CAT192 Fab Heavy chain, CAT192 Fab Light chain, SULFATE ION
著者Lord, D.M, Wei, R.R.
登録日2017-08-15
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-based engineering to restore high affinity binding of an isoform-selective anti-TGF beta 1 antibody.
MAbs, 10, 2018
7ZY9
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Structure of D165A/D167A double mutant of Chit33 from Trichoderma harzianum complexed with chitintetraose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endochitinase 33
著者Jimenez-Ortega, E, Sanz-Aparicio, J.
登録日2022-05-24
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Function Insights into the Fungal Endo -Chitinase Chit33 Depict its Mechanism on Chitinous Material.
Int J Mol Sci, 23, 2022
7ZYA
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Structure of Chit33 from Trichoderma harzianum.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Endochitinase 33, ...
著者Jimenez-Ortega, E, Sanz-Aparicio, J.
登録日2022-05-24
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Structure-Function Insights into the Fungal Endo -Chitinase Chit33 Depict its Mechanism on Chitinous Material.
Int J Mol Sci, 23, 2022
6AVC
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Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
分子名称: Potassium channel toxin alpha-KTx 1.5
著者Gewe, M.M, Rupert, P, Strong, R.K.
登録日2017-09-01
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
8BOV
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BU of 8bov by Molmil
X-ray structure of the adduct formed upon reaction of the five-coordinate Pt(II) complex, 1-Me,Me, with HEWL at pH 7.5
分子名称: 1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene], 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
著者Ferraro, G, Tito, G, Merlino, A.
登録日2022-11-15
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Impact of Hydrophobic Chains in Five-Coordinate Glucoconjugate Pt(II) Anticancer Agents.
Int J Mol Sci, 24, 2023
8BOY
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X-ray structure of the adduct formed upon reaction of the five-coordinate Pt(II) complex, 1-Me,Me, with HEWL at pH 4.0
分子名称: 1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene], Lysozyme C, NITRATE ION, ...
著者Ferraro, G, Tito, G, Merlino, A.
登録日2022-11-15
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Impact of Hydrophobic Chains in Five-Coordinate Glucoconjugate Pt(II) Anticancer Agents.
Int J Mol Sci, 24, 2023
8BFU
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Crystal structure of the apo p110alpha catalytic subunit from homo sapiens
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L.
登録日2022-10-26
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
8BVO
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Titin I110-I111 FnIII tandem from the MIR region (I/A5-I/A6)
分子名称: Titin
著者Mayans, O, Fleming, J.R, Williams, R.
登録日2022-12-05
公開日2023-02-15
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Immunological and Structural Characterization of Titin Main Immunogenic Region; I110 Domain Is the Target of Titin Antibodies in Myasthenia Gravis.
Biomedicines, 11, 2023
8BW6
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Titin FnIII-domain I110 (I/A6) from the MIR region
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Mayans, O, Fleming, J.R.
登録日2022-12-06
公開日2023-02-15
最終更新日2023-03-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Immunological and Structural Characterization of Titin Main Immunogenic Region; I110 Domain Is the Target of Titin Antibodies in Myasthenia Gravis.
Biomedicines, 11, 2023
8BOG
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 7
分子名称: Ephrin type-A receptor 2, ~{N}-[4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
著者Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H.
登録日2022-11-15
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
6CBV
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BU of 6cbv by Molmil
Crystal structure of BRIL bound to an affinity matured synthetic antibody.
分子名称: BRIL, FORMIC ACID, GLYCEROL, ...
著者Mukherjee, S, Skrobek, B, Kossiakoff, A.A.
登録日2018-02-05
公開日2019-02-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.872 Å)
主引用文献Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins.
Nat Commun, 11, 2020
8BOM
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 14
分子名称: Ephrin type-A receptor 2, ~{N}-(3-methoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
著者Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H.
登録日2022-11-15
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
6CC1
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Crystal structure of ykoY-alx riboswitch chimera bound to cadmium
分子名称: BARIUM ION, CADMIUM ION, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Bachas, S.T, Ferre-D'amare, A.R.
登録日2018-02-05
公開日2018-06-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Convergent Use of Heptacoordination for Cation Selectivity by RNA and Protein Metalloregulators.
Cell Chem Biol, 25, 2018
8BOH
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 8
分子名称: 4-methyl-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2
著者Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H.
登録日2022-11-15
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
6CQM
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Crystal Structure of mitochondrial single-stranded DNA binding proteins from S. cerevisiae, Rim1 (Form2)
分子名称: Single-stranded DNA-binding protein RIM1, mitochondrial
著者Singh, S.P, Kukshal, V, Bona, P.D, Lytle, A.K, Edwin, A, Galletto, R.
登録日2018-03-15
公開日2018-05-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The mitochondrial single-stranded DNA binding protein from S. cerevisiae, Rim1, does not form stable homo-tetramers and binds DNA as a dimer of dimers.
Nucleic Acids Res., 46, 2018
8BOD
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 20
分子名称: Ephrin type-A receptor 2, ~{N}-[3,5-bis(chloranyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
著者Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H.
登録日2022-11-15
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
8BOI
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 9
分子名称: 4-methyl-~{N}-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2
著者Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H.
登録日2022-11-15
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
8BOK
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 11
分子名称: Ephrin type-A receptor 2, ~{N}-(3,5-dimethoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
著者Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H.
登録日2022-11-15
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
8BOF
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 12
分子名称: 4-methyl-~{N}-(3-methylphenyl)-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2
著者Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H.
登録日2022-11-15
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
6CQO
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Crystal Structure of mitochondrial single-stranded DNA binding proteins from S. cerevisiae (SeMet Labeled), Rim1 (Form2)
分子名称: Single-stranded DNA-binding protein RIM1, mitochondrial
著者Singh, S.P, Kukshal, V, Bona, P.D, Lytle, A.K, Edwin, A, Galletto, R.
登録日2018-03-15
公開日2018-05-30
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The mitochondrial single-stranded DNA binding protein from S. cerevisiae, Rim1, does not form stable homo-tetramers and binds DNA as a dimer of dimers.
Nucleic Acids Res., 46, 2018
6D0E
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X-ray crystal structure of wild type HIV-1 protease in complex with GRL-084-13
分子名称: (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate, Protease
著者Yedidi, R.S, Hayashi, H, Ghosh, A.K, Mitsuya, H.
登録日2018-04-10
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Novel Central Nervous System (CNS)-Targeting Protease Inhibitors for Drug-Resistant HIV Infection and HIV-Associated CNS Complications.
Antimicrob.Agents Chemother., 63, 2019
6D2P
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Crystal structure of IOMA-class CLK31 Fab from an HIV-1 naive donor in complex with a germline-targeting gp120 engineered outer domain eOD-GT8 at 2.6 A
分子名称: GLYCEROL, Germline-targeting HIV-1 gp120 engineered outer domain eOD-GT8, IOMAclass naive CLK31 Fab heavy chain, ...
著者Sarkar, A, Wilson, I.A.
登録日2018-04-13
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The human naive B cell repertoire contains distinct subclasses for a germline-targeting HIV-1 vaccine immunogen.
Sci Transl Med, 10, 2018
6CRO
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CRYSTAL STRUCTURE OF LAMBDA-CRO BOUND TO A CONSENSUS OPERATOR AT 3.0 ANGSTROM RESOLUTION
分子名称: DNA (5'-D(*AP*CP*TP*AP*TP*CP*AP*CP*CP*GP*CP*GP*GP*GP*TP*GP*AP*TP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*AP*TP*CP*AP*CP*CP*CP*GP*CP*GP*GP*TP*GP*AP*TP*AP*G)-3'), LAMBDA CRO REPRESSOR, ...
著者Albright, R.A, Matthews, B.W.
登録日1998-04-22
公開日1998-09-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of lambda-Cro bound to a consensus operator at 3.0 A resolution.
J.Mol.Biol., 280, 1998
6D5Y
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Crystal structure of ERK2 G169D mutant
分子名称: Mitogen-activated protein kinase 1
著者Yin, J, Jaiswal, B.S, Wang, W.
登録日2018-04-19
公開日2019-02-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献ERK Mutations and Amplification Confer Resistance to ERK-Inhibitor Therapy.
Clin. Cancer Res., 24, 2018

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