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6VLF
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Crystal structure of mouse alpha 1,6-fucosyltransferase, FUT8 in its Apo-form
分子名称: 1,2-ETHANEDIOL, Alpha-(1,6)-fucosyltransferase, SULFATE ION
著者Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E.
登録日2020-01-23
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of substrate recognition and catalysis by fucosyltransferase 8.
J.Biol.Chem., 295, 2020
6XVK
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BU of 6xvk by Molmil
Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor bearing an acrylamide
分子名称: Vascular endothelial growth factor receptor 2, ~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
著者Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
登録日2020-01-22
公開日2020-05-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
6VKK
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BU of 6vkk by Molmil
Crystal Structure of human PARP-1 CAT domain bound to inhibitor rucaparib
分子名称: GLYCEROL, Poly [ADP-ribose] polymerase 1, Rucaparib, ...
著者Steffen, J.D, Pascal, J.M.
登録日2020-01-21
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for allosteric PARP-1 retention on DNA breaks.
Science, 368, 2020
7ZTR
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BU of 7ztr by Molmil
Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) in the apoform, W232F mutant
分子名称: Carotenoid-binding protein
著者Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O.
登録日2022-05-11
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Silkworm carotenoprotein as an efficient carotenoid extractor, solubilizer and transporter.
Int.J.Biol.Macromol., 223, 2022
7ZVR
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BU of 7zvr by Molmil
Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) complexed with zeaxanthin
分子名称: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, Carotenoid-binding protein
著者Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O.
登録日2022-05-17
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the carotenoid binding and transport function of a START domain.
Structure, 30, 2022
7ZVQ
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BU of 7zvq by Molmil
Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) in the apoform, S206V mutant
分子名称: Carotenoid-binding protein
著者Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O.
登録日2022-05-17
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for the carotenoid binding and transport function of a START domain.
Structure, 30, 2022
6XV9
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BU of 6xv9 by Molmil
Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor
分子名称: Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
著者Ogg, D.J, Howard, T, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
登録日2020-01-21
公開日2020-05-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.38 Å)
主引用文献Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
6VLD
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BU of 6vld by Molmil
Crystal structure of human alpha 1,6-fucosyltransferase, FUT8 bound to GDP and A2SGP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ASPARAGINE, Alpha-(1,6)-fucosyltransferase, ...
著者Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E.D.
登録日2020-01-23
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural basis of substrate recognition and catalysis by fucosyltransferase 8.
J.Biol.Chem., 295, 2020
6BXQ
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BU of 6bxq by Molmil
Crystal Structure of HLA-B*57:01 with an HIV peptide RKV
分子名称: Beta-2-microglobulin, HIV peptide RKV, MHC class I antigen
著者Gras, S, Rossjohn, J.
登録日2017-12-18
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Identification of Native and Posttranslationally Modified HLA-B*57:01-Restricted HIV Envelope Derived Epitopes Using Immunoproteomics.
Proteomics, 18, 2018
6C5T
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BU of 6c5t by Molmil
PPARg LBD bound to SR11023
分子名称: 2-{4-[(5-{[(1R)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma
著者Bruning, J.B, Frkic, R.L, Griffin, P.R.
登録日2018-01-16
公開日2018-08-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献PPAR gamma in Complex with an Antagonist and Inverse Agonist: a Tumble and Trap Mechanism of the Activation Helix.
iScience, 5, 2018
6Z1Y
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BU of 6z1y by Molmil
Crystal structure of type-I ribosome-inactivating protein trichobakin (TBK)
分子名称: SODIUM ION, Trichobakin
著者Boyko, K.M, Nikolaeva, A.Y, Britikov, V.V, Bocharov, E.V, Britikova, E.V, Le, T.B.T, Phan, C.V, Popov, V.O, Usanov, S.A.
登録日2020-05-14
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of type-I ribosome-inactivating protein trichobakin (TBK)
To Be Published
6Z6A
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BU of 6z6a by Molmil
Keap1 macrocycle complex
分子名称: (5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1, ...
著者Johansson, P.
登録日2020-05-28
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Mining Natural Products for Macrocycles to Drug Difficult Targets.
J.Med.Chem., 64, 2021
5U5I
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BU of 5u5i by Molmil
The dimeric crystal structure of the selenomethionine derivative of HTPA Reductase from Sellaginella moellendorffii
分子名称: CALCIUM ION, HTPA Reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Keown, J.R, Goldstone, D.C, Pearce, F.G.
登録日2016-12-06
公開日2017-12-06
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Plant DHDPR forms a dimer with unique secondary structure features that preclude higher-order assembly.
Biochem. J., 475, 2018
6VLE
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BU of 6vle by Molmil
Crystal structure of human alpha 1,6-fucosyltransferase, FUT8 in its Apo-form
分子名称: Alpha-(1,6)-fucosyltransferase, SULFATE ION
著者Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E.D.
登録日2020-01-23
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural basis of substrate recognition and catalysis by fucosyltransferase 8.
J.Biol.Chem., 295, 2020
6XM1
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BU of 6xm1 by Molmil
SM Protein Vps45 in Complex with Qa SNARE Tlg2
分子名称: Tlg2 Qa SNARE, Vps45
著者Jeffrey, P.D, Eisemann, T.J, Hughson, F.M.
登録日2020-06-29
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Sec1/Munc18 protein Vps45 holds the Qa-SNARE Tlg2 in an open conformation.
Elife, 9, 2020
6XU4
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BU of 6xu4 by Molmil
Crystal structure of the genetically-encoded FGCaMP calcium indicator in its calcium-bound state
分子名称: CALCIUM ION, FGCamp
著者Boyko, K.M, Nikolaeva, A.Y, Korzhenevskiy, D.A, Barykina, N.V, Subach, O.M, Subach, F.V.
登録日2020-01-17
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献FGCaMP7, an Improved Version of Fungi-Based Ratiometric Calcium Indicator for In Vivo Visualization of Neuronal Activity.
Int J Mol Sci, 21, 2020
6XMD
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BU of 6xmd by Molmil
SM Protein Vps45 in Complex with Qa SNARE Tlg2 (1-310)
分子名称: Tlg2 Qa SNARE, Vps45
著者Jeffrey, P.D, Eisemann, T.J, Hughson, F.M.
登録日2020-06-30
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献The Sec1/Munc18 protein Vps45 holds the Qa-SNARE Tlg2 in an open conformation.
Elife, 9, 2020
6W9D
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BU of 6w9d by Molmil
RNF12 RING domain in complex with a Ube2d2~Ub conjugate
分子名称: E3 ubiquitin-protein ligase RLIM, IODIDE ION, Ubiquitin, ...
著者Middleton, A.J, Day, C.L.
登録日2020-03-22
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献The RING Domain of RING Finger 12 Efficiently Builds Degradative Ubiquitin Chains.
J.Mol.Biol., 432, 2020
6HC0
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BU of 6hc0 by Molmil
Bdellovibrio bacteriovorus DgcB FHA domain, tail complex
分子名称: DgcB N-terminus, FORMIC ACID, GGDEF domain protein
著者Lovering, A.L, Meek, R.W.
登録日2018-08-13
公開日2019-08-28
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural basis for activation of a diguanylate cyclase required for bacterial predation in Bdellovibrio.
Nat Commun, 10, 2019
6HVD
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BU of 6hvd by Molmil
Human SLK bound to a maleimide inhibitor
分子名称: 1,2-ETHANEDIOL, 3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione, STE20-like serine/threonine-protein kinase, ...
著者Sorrell, F.J, Berger, B.T, Salah, E, Serafim, R.A.M, Savitsky, P.A, Krojer, T, Bailey, H.J, Pinkas, D, Burgess-Brown, N.A, von Delft, F, Knapp, S, Arrowsmith, C, Bountra, C, Edwards, A.M, Elkins, J.M.
登録日2018-10-10
公開日2018-10-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Human SLK bound to a maleimide inhibitor
To Be Published
6HG9
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BU of 6hg9 by Molmil
Crystal Structure of the human IL-17RC ECD in complex with human IL-17F, Crystal form II
分子名称: Interleukin-17 receptor C, Interleukin-17F
著者Rondeau, J.M, Goepfert, A.
登録日2018-08-23
公開日2020-03-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
6VZH
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BU of 6vzh by Molmil
Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311
分子名称: (7~{R})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, SULFATE ION, ...
著者dos Reis, C.V, Dutra, L.A, Gama, F, Ferreira, M, Mascarello, A, Azevedo, H, Guimaraes, C, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC)
登録日2020-02-28
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311
To be Published
8AQ6
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BU of 8aq6 by Molmil
NanoLuc luciferase with bound furimamide in surface allosteric site
分子名称: CHLORIDE ION, GLYCEROL, N-(3-Benzyl-5-phenylpyrazin-2-yl)-2-(furan-2-yl)acetamide, ...
著者Nemergut, M, Marek, M.
登録日2022-08-11
公開日2023-08-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Illuminating the mechanism and allosteric behavior of NanoLuc luciferase.
Nat Commun, 14, 2023
8AQI
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BU of 8aqi by Molmil
NanoLuc luciferase with bound coelenteramide in surface allosteric site
分子名称: CHLORIDE ION, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE, NanoLuc luciferase, ...
著者Nemergut, M, Marek, M.
登録日2022-08-12
公開日2023-08-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Illuminating the mechanism and allosteric behavior of NanoLuc luciferase.
Nat Commun, 14, 2023
6WAQ
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BU of 6waq by Molmil
Crystal structure of the SARS-CoV-1 RBD bound by the cross-reactive single-domain antibody SARS VHH-72
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, nanobody SARS VHH-72
著者Wrapp, D, McLellan, J.S.
登録日2020-03-25
公開日2020-04-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for Potent Neutralization of Betacoronaviruses by Single-Domain Camelid Antibodies.
Cell, 181, 2020

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