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7E8F
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BU of 7e8f by Molmil
SARS-CoV-2 NTD in complex with N9 Fab
分子名称: 368-2 H, 368-2 L, 604 H, ...
著者Du, S, Xiao, J, Zhang, Z.
登録日2021-03-01
公開日2021-06-09
最終更新日2021-07-14
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E86
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BU of 7e86 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-508 Fab
分子名称: BD-508 Fab Heavy Chain, BD-508 Fab Light Chain, Spike protein S1
著者Gao, C, Xiao, J.
登録日2021-03-01
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
8G8D
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BU of 8g8d by Molmil
Crystal structure of DH1346 Fab in complex with HIV proximal MPER peptide
分子名称: DH1346 heavy chain, DH1346 light chain, FLUORIDE ION, ...
著者Niyongabo, A, Janus, B.M, Ofek, G.
登録日2023-02-17
公開日2024-05-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 187, 2024
8G8A
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BU of 8g8a by Molmil
Crystal structure of DH1317.8 Fab in complex with HIV proximal MPER peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1317.8 heavy chain, DH1317.8 light chain, ...
著者Janus, B.M, Astavans, A, Ofek, G.
登録日2023-02-17
公開日2024-05-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 187, 2024
5VND
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BU of 5vnd by Molmil
Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to H3B-6527
分子名称: 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide, ...
著者Tsai, J.H.C, Reynolds, D, Fekkes, P, Smith, P, Larsen, N.A.
登録日2017-04-30
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献H3B-6527 Is a Potent and Selective Inhibitor of FGFR4 in FGF19-Driven Hepatocellular Carcinoma.
Cancer Res., 77, 2017
6YG1
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BU of 6yg1 by Molmil
Crystal structure of MKK7 (MAP2K7) in an active state, allosterically triggered by the N-terminal helix
分子名称: 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7, SODIUM ION
著者Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC), Scottish Structural Proteomics Facility (SSPF)
登録日2020-03-27
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
6YL5
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BU of 6yl5 by Molmil
Crystal structure of the SAM-SAH riboswitch with SAH
分子名称: Chains: A,B,C,D,E,F,G,H,I,J,K,L, MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Huang, L, Lilley, D.M.J.
登録日2020-04-06
公開日2020-07-22
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure and ligand-induced folding of the SAM/SAH riboswitch.
Nucleic Acids Res., 2020
6YMI
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BU of 6ymi by Molmil
Crystal structure of the SAM-SAH riboswitch with AMP.
分子名称: 5-BROMOCYTIDINE 5'-(DIHYDROGEN PHOSPHATE), ADENOSINE MONOPHOSPHATE, Chains: A,C,F,I,M,O, ...
著者Huang, L, Lilley, D.M.J.
登録日2020-04-08
公開日2020-07-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure and ligand-induced folding of the SAM/SAH riboswitch.
Nucleic Acids Res., 48, 2020
6S4A
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BU of 6s4a by Molmil
Structure of human MTHFD2 in complex with TH9028
分子名称: (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ...
著者Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P.
登録日2019-06-27
公開日2021-07-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
6S4F
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Structure of human MTHFD2 in complex with TH9619
分子名称: (E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acid, ADENOSINE-5'-DIPHOSPHATE, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ...
著者Scaletti, E.R, Gustafsson, R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P.
登録日2019-06-27
公開日2021-07-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
6S4E
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BU of 6s4e by Molmil
Structure of human MTHFD2 in complex with TH7299
分子名称: (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ...
著者Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P.
登録日2019-06-27
公開日2021-07-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
6XGQ
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BU of 6xgq by Molmil
YSD1 bacteriophage capsid
分子名称: YSD1_16, YSD1_17
著者Hardy, J.M, Dunstan, R, Venugopal, H, Lithgow, T.J, Coulibaly, F.J.
登録日2020-06-17
公開日2020-07-01
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献The architecture and stabilisation of flagellotropic tailed bacteriophages.
Nat Commun, 11, 2020
6YMJ
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BU of 6ymj by Molmil
Crystal structure of the SAM-SAH riboswitch with adenosine.
分子名称: 5-BROMOCYTIDINE 5'-(DIHYDROGEN PHOSPHATE), ADENOSINE, Chains: A,C,F,I,M,O, ...
著者Huang, L, Lilley, D.M.J.
登録日2020-04-08
公開日2020-07-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Crystal structure and ligand-induced folding of the SAM/SAH riboswitch.
Nucleic Acids Res., 48, 2020
6YFZ
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BU of 6yfz by Molmil
Crystal structure of MKK7 (MAP2K7), apo form
分子名称: Dual specificity mitogen-activated protein kinase kinase 7
著者Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-03-27
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
6YLB
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BU of 6ylb by Molmil
Crystal structure of the SAM-SAH riboswitch with SAM
分子名称: Chains: A,C,F,I,M,O, Chains: B,D,G,J,N,P, S-ADENOSYLMETHIONINE
著者Huang, L, Lilley, D.M.J.
登録日2020-04-07
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structure and ligand-induced folding of the SAM/SAH riboswitch.
Nucleic Acids Res., 2020
6YML
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BU of 6yml by Molmil
Crystal structure of the SAM-SAH riboswitch with decarboxylated SAH
分子名称: 5'-S-(3-aminopropyl)-5'-thioadenosine, ADENOSINE MONOPHOSPHATE, Chains: A,C, ...
著者Huang, L, Lilley, D.M.J.
登録日2020-04-08
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal structure and ligand-induced folding of the SAM/SAH riboswitch.
Nucleic Acids Res., 48, 2020
1DCC
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BU of 1dcc by Molmil
2.2 ANGSTROM STRUCTURE OF OXYPEROXIDASE: A MODEL FOR THE ENZYME:PEROXIDE COMPLEX
分子名称: CYTOCHROME C PEROXIDASE, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
著者Miller, M.A, Shaw, A, Kraut, J.
登録日1994-06-01
公開日1994-08-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献2.2 A structure of oxy-peroxidase as a model for the transient enzyme: peroxide complex.
Nat.Struct.Biol., 1, 1994
6YMK
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BU of 6ymk by Molmil
Crystal structure of the SAM-SAH riboswitch with AMP
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Chains: A,C,F,I,M,O, Chains: B,D,G,J,N,P, ...
著者Huang, L, Lilley, D.M.J.
登録日2020-04-08
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structure and ligand-induced folding of the SAM/SAH riboswitch.
Nucleic Acids Res., 48, 2020
6YG4
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BU of 6yg4 by Molmil
Crystal structure of MKK7 (MAP2K7) in complex with K00007
分子名称: (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7
著者Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-03-27
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
6V2F
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BU of 6v2f by Molmil
Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207
分子名称: HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
著者Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T.
登録日2019-11-22
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Clinical targeting of HIV capsid protein with a long-acting small molecule.
Nature, 584, 2020
7AEU
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BU of 7aeu by Molmil
Pressure wave-exposed human hemoglobin: probe only data (5500 indexed images)
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Barends, T.R.M, Schlichting, I.
登録日2020-09-18
公開日2021-02-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Effect of X-ray free-electron laser-induced shockwaves on haemoglobin microcrystals delivered in a liquid jet.
Nat Commun, 12, 2021
7AET
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BU of 7aet by Molmil
Pressure wave-exposed human hemoglobin: probe only data (3500 indexed images)
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Barends, T.R.M, Schlichting, I.
登録日2020-09-18
公開日2021-02-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Effect of X-ray free-electron laser-induced shockwaves on haemoglobin microcrystals delivered in a liquid jet.
Nat Commun, 12, 2021
7AEV
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BU of 7aev by Molmil
Pressure wave-exposed human hemoglobin: pump/probe data (3500 indexed images)
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Barends, T.R.M, Schlichting, I.
登録日2020-09-18
公開日2021-02-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Effect of X-ray free-electron laser-induced shockwaves on haemoglobin microcrystals delivered in a liquid jet.
Nat Commun, 12, 2021
7K4I
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Human Arginase 1 in complex with compound 06.
分子名称: 3-[(1~{S},2~{S},5~{R})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-09-15
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
5ZE3
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Crystal structure of human lysyl oxidase-like 2 (hLOXL2) in a precursor state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lysyl oxidase homolog 2, ...
著者Zhang, X, Liu, M.
登録日2018-02-25
公開日2018-04-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of human lysyl oxidase-like 2 (hLOXL2) in a precursor state.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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