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8HGS
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The EGF-bound EGFR ectodomain homodimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, Pro-epidermal growth factor, ...
著者Zhang, Z, Bai, X.
登録日2022-11-15
公開日2023-02-15
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (3.81 Å)
主引用文献Structure and dynamics of the EGFR/HER2 heterodimer.
Cell Discov, 9, 2023
8F5X
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Crystal structure of human eosinophil-derived neurotoxin (EDN, ribonuclease 2) in complex with 5'-adenosine monophosphate (AMP)
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Non-secretory ribonuclease, ...
著者Tran, T.T.Q, Pham, N.T.H, Calmettes, C, Doucet, N.
登録日2022-11-15
公開日2023-11-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Ancestral sequence reconstruction dissects structural and functional differences among eosinophil ribonucleases.
J.Biol.Chem., 300, 2024
8HGT
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Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Jiang, Y, Tian, X, Cong, Z.
登録日2022-11-15
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Enabling Peroxygenase Activity in Cytochrome P450 Monooxygenases by Engineering Hydrogen Peroxide Tunnels.
J.Am.Chem.Soc., 145, 2023
8BOV
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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 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
8HGH
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Structure of 2:2 PAPP-A.STC2 complex
分子名称: Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION
著者Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
登録日2022-11-14
公開日2023-01-11
実験手法ELECTRON MICROSCOPY (4.16 Å)
主引用文献Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
8HGG
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Structure of 2:2 PAPP-A.ProMBP complex
分子名称: Bone marrow proteoglycan, Pappalysin-1, ZINC ION
著者Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
登録日2022-11-14
公開日2023-01-11
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
8HGC
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BU of 8hgc by Molmil
Crystal structure of the CYP199A4 mutant F182T in complex with 4-methoxybenzoic acid
分子名称: 4-METHOXYBENZOIC ACID, ACETATE ION, Cytochrome P450, ...
著者Jiang, Y, Cong, Z.
登録日2022-11-14
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Enabling Peroxygenase Activity in Cytochrome P450 Monooxygenases by Engineering Hydrogen Peroxide Tunnels.
J.Am.Chem.Soc., 145, 2023
8HGB
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BU of 8hgb by Molmil
Crystal structure of the CYP199A4 mutant F182G in complex with 3-hydroxy-4-methoxybenzoic acid
分子名称: 4-methoxy-3-oxidanyl-benzoic acid, Cytochrome P450, GLYCEROL, ...
著者Jiang, Y, Cong, Z.
登録日2022-11-14
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal structure of the CYP199A4 mutant F182G in complex with 3-hydroxy-4-methoxybenzoic acid
To Be Published
8HGE
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BU of 8hge by Molmil
Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei in complex with 12-hydroxydodecanoic acid
分子名称: 12-HYDROXYDODECANOIC ACID, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Jiang, Y, Cong, Z.
登録日2022-11-14
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei in complex with 12-hydroxydodecanoic acid
To Be Published
8HGD
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BU of 8hgd by Molmil
Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei
分子名称: Cytochrome P450, GLYCEROL, METHANOL, ...
著者Jiang, Y, Cong, Z.
登録日2022-11-14
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei
To Be Published
8BO1
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BU of 8bo1 by Molmil
ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, bound to Latrunculin-B-ATP-Mg-actin, and 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE and 2 Mg ions
分子名称: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AZIDE ION, ...
著者Teixeira-Nunes, M, Renault, L, Retailleau, P.
登録日2022-11-14
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Plos Pathog., 19, 2023
8BO4
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COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 1
分子名称: 4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, GLYCEROL
著者Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, M, Lang, D, Heitmeier, S, Hillisch, A.
登録日2022-11-14
公開日2023-09-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
8BO3
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COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR Asundexian
分子名称: 4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide, CITRIC ACID, Coagulation factor XIa light chain
著者Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A.
登録日2022-11-14
公開日2023-09-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.841 Å)
主引用文献Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
8BO5
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COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 3
分子名称: 2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide, CITRIC ACID, Coagulation factor XIa light chain, ...
著者Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A.
登録日2022-11-14
公開日2023-09-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
8BO6
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BU of 8bo6 by Molmil
COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 2
分子名称: (~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide, CITRIC ACID, Coagulation factor XIa light chain, ...
著者Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A.
登録日2022-11-14
公開日2023-09-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
8BO7
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COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 34
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid, CITRIC ACID, ...
著者Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A.
登録日2022-11-14
公開日2023-09-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
8BNQ
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Crystal structure of the FnIII-tandem A84-A86 from the A-band of titin
分子名称: 1,2-ETHANEDIOL, Titin
著者Zacharchenko, T, Fleming, J.R, Mayans, O.
登録日2022-11-14
公開日2023-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular insights into titin's A-band.
J.Muscle Res.Cell.Motil., 44, 2023
8F5B
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BU of 8f5b by Molmil
Human ABCA4 structure in complex with AMP-PNP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Scortecci, J.F, Van Petegem, F, Molday, R.S.
登録日2022-11-13
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献Structural and Functional Characterization of ABCA4 in its Nucleotide-Bound State
To Be Published
8BN5
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Crystal structure of the ligand-binding domain (LBD) of human iGluR Delta-1 (GluD1) in complex with GABA
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Heroven, C, Malinauskas, T, Aricescu, A.R.
登録日2022-11-12
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献GluD1 binds GABA and controls inhibitory plasticity.
Science, 382, 2023
8BN2
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BU of 8bn2 by Molmil
Crystal structure of the ligand-binding domain (LBD) of human iGluR Delta-1 (GluD1) in complex with D-Serine
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Heroven, C, Malinauskas, T, Aricescu, A.R.
登録日2022-11-11
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献GluD1 binds GABA and controls inhibitory plasticity.
Science, 382, 2023
8BMQ
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Cryo-EM structure of the folate-specific ECF transporter complex in MSP2N2 lipid nanodiscs bound to AMP-PNP
分子名称: Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT, ...
著者Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J.
登録日2022-11-10
公開日2023-08-02
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Expulsion mechanism of the substrate-translocating subunit in ECF transporters.
Nat Commun, 14, 2023
8BMS
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BU of 8bms by Molmil
Cryo-EM structure of the mutant solitary ECF module 2EQ in MSP2N2 lipid nanodiscs in the ATPase closed and ATP-bound conformation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, ...
著者Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J.
登録日2022-11-10
公開日2023-08-02
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Expulsion mechanism of the substrate-translocating subunit in ECF transporters.
Nat Commun, 14, 2023
8BMR
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BU of 8bmr by Molmil
Cryo-EM structure of the wild-type solitary ECF module in MSP2N2 lipid nanodiscs in the ATPase open and nucleotide-free conformation
分子名称: Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT
著者Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J.
登録日2022-11-10
公開日2023-08-02
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Expulsion mechanism of the substrate-translocating subunit in ECF transporters.
Nat Commun, 14, 2023
8BMP
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Cryo-EM structure of the folate-specific ECF transporter complex in MSP2N2 lipid nanodiscs bound to ATP and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Energy-coupling factor transporter ATP-binding protein EcfA1, ...
著者Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J.
登録日2022-11-10
公開日2023-08-02
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Expulsion mechanism of the substrate-translocating subunit in ECF transporters.
Nat Commun, 14, 2023

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件を2024-07-10に公開中

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