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6RT3
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BU of 6rt3 by Molmil
Native tetragonal lysozyme - synchrotron data
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Pereira, P.J.B.
Deposit date:2019-05-22
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Protein crystals as a key for deciphering macromolecular crowding effects on biological reactions.
Phys Chem Chem Phys, 22, 2020
4YFQ
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BU of 4yfq by Molmil
CRYSTAL STRUCTURE OF THE R111K:Y134F:T54V:R132Q:P39Y:R59Y MUTANT OF HUMAN CELLULAR RETINOIC ACID BINDING PROTEINII WITH RETINAL AFTER 24 HOURS INCUBATION AT 1.62 ANGSTROM RESOLUTION - Thermodynamic product - 1st cycle
Descriptor: Cellular retinoic acid-binding protein 2, RETINAL
Authors:Nosrati, M, Geiger, J.H.
Deposit date:2015-02-25
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:A Photoisomerizing Rhodopsin Mimic Observed at Atomic Resolution.
J.Am.Chem.Soc., 138, 2016
8WF4
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BU of 8wf4 by Molmil
The Crystal Structure of RSK1 from Biortus.
Descriptor: 1,2-ETHANEDIOL, Ribosomal protein S6 kinase alpha-1
Authors:Wang, F, Cheng, W, Lv, Z, Qi, J, Li, J.
Deposit date:2023-09-19
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Crystal Structure of RSK1 from Biortus.
To Be Published
3KVG
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BU of 3kvg by Molmil
Crystal structure of the N-terminal domain of Hsp70 (cgd2_20) from Cryptosporidium parvum in complex with AMPPNP
Descriptor: 1,2-ETHANEDIOL, Heat shock 70 (HSP70) protein, PHOSPHATE ION, ...
Authors:Wernimont, A.K, Hutchinson, A, Sullivan, H, Lew, J, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2009-11-30
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of the N-terminal domain of Hsp70 (cgd2_20) from Cryptosporidium parvum in complex with AMPPNP
To be Published
8WFF
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BU of 8wff by Molmil
The Crystal Structure of LYN from Biortus.
Descriptor: CHLORIDE ION, CITRATE ANION, Tyrosine-protein kinase Lyn
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Lu, Y.
Deposit date:2023-09-19
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Crystal Structure of LYN from Biortus.
To Be Published
8WKH
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BU of 8wkh by Molmil
Crystal structure of group 13 allergen from Blomia tropicalis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Fatty acid-binding protein
Authors:Zhu, K.L, Gong, Y, Cui, Y.B.
Deposit date:2023-09-27
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Immunobiological properties and structure analysis of group 13 allergen from Blomia tropicalis and its IgE-mediated cross-reactivity.
Int.J.Biol.Macromol., 254, 2023
6RVG
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BU of 6rvg by Molmil
Co-substituted beta-Keggin bound to Proteinase K solved by MR
Descriptor: Co-substituted beta-Keggin, Proteinase K, SULFATE ION
Authors:Breibeck, J, Bijelic, A, Rompel, A.
Deposit date:2019-05-31
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Transition metal-substituted Keggin polyoxotungstates enabling covalent attachment to proteinase K upon co-crystallization.
Chem.Commun.(Camb.), 55, 2019
8X2P
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BU of 8x2p by Molmil
The Crystal Structure of LCK from Biortus.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, TETRAETHYLENE GLYCOL, ...
Authors:Wang, F, Cheng, W, Lv, Z, Meng, Q, Lu, Y.
Deposit date:2023-11-10
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Crystal Structure of LCK from Biortus.
To Be Published
6RXI
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BU of 6rxi by Molmil
In-flow serial synchrotron crystallography using a 3D-printed microfluidic device (3D-MiXD): Lysozyme
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Lysozyme C, ...
Authors:Monteiro, D.C.F, von Stetten, D, Pearson, A.R, Trebbin, M.
Deposit date:2019-06-08
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:3D-MiXD: 3D-printed X-ray-compatible microfluidic devices for rapid, low-consumption serial synchrotron crystallography data collection in flow.
Iucrj, 7, 2020
3KX3
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BU of 3kx3 by Molmil
Crystal structure of Bacillus megaterium BM3 heme domain mutant L86E
Descriptor: Bifunctional P-450/NADPH-P450 reductase, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Girvan, H.M, Levy, C.W, Leys, D, Munro, A.W.
Deposit date:2009-12-02
Release date:2010-05-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Glutamate-haem ester bond formation is disfavoured in flavocytochrome P450 BM3: characterization of glutamate substitution mutants at the haem site of P450 BM3.
Biochem.J., 427, 2010
4YLK
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BU of 4ylk by Molmil
Crystal structure of DYRK1A in complex with 10-Chloro-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5s
Descriptor: 1,2-ETHANEDIOL, 10-chloro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ...
Authors:Chaikuad, A, Falke, H, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-03-05
Release date:2015-03-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A.
J.Med.Chem., 58, 2015
3KXN
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BU of 3kxn by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor tetraiodobenzimidazole (K88)
Descriptor: 4,5,6,7-tetraiodo-1H-benzimidazole, Casein kinase II subunit alpha
Authors:Papinutto, E, Franchin, C, Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
4Y3T
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BU of 4y3t by Molmil
Endothiapepsin in complex with fragment 207
Descriptor: (3R)-piperidin-3-yl(piperidin-1-yl)methanone, (3S)-piperidin-3-yl(piperidin-1-yl)methanone, ACETATE ION, ...
Authors:Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystallographic Fragment Sreening of an Entire Library
To Be Published
8X5Z
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BU of 8x5z by Molmil
The Crystal Structure of PAK1 kinase domain from Biortus.
Descriptor: Serine/threonine-protein kinase PAK 1
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Ni, C.
Deposit date:2023-11-20
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Crystal Structure of PAK1 kinase domain from Biortus.
To Be Published
4Y48
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BU of 4y48 by Molmil
Endothiapepsin in complex with fragment B50
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2016-05-11
Method:X-RAY DIFFRACTION (1.249 Å)
Cite:Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
3KT5
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BU of 3kt5 by Molmil
Crystal Structure of N88S mutant HIV-1 Protease
Descriptor: Protease
Authors:Bihani, S.C, Das, A, Prashar, V, Ferrer, J.L, Hosur, M.V.
Deposit date:2009-11-24
Release date:2010-02-16
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Resistance mechanism revealed by crystal structures of unliganded nelfinavir-resistant HIV-1 protease non-active site mutants N88D and N88S.
Biochem.Biophys.Res.Commun., 389, 2009
6S4J
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BU of 6s4j by Molmil
Crystal structure of zinc free A14E, B25H, B29K(N(eps)-[2-(2-[2-(2-[2-(Octadecandioyl-gamma-Glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]), desB27, desB30 human insulin
Descriptor: IMIDAZOLE, Insulin, KUT [2-(2-[2-(2-[2-(Octadecandioyl-gamma-Glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]
Authors:Johansson, E.
Deposit date:2019-06-28
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular engineering of safe and efficacious oral basal insulin.
Nat Commun, 11, 2020
3L3A
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BU of 3l3a by Molmil
Bace-1 with the aminopyridine Compound 32
Descriptor: 4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1H-pyrrol-2-yl}phenoxy)butanenitrile, Beta-secretase 1
Authors:Olland, A.M, Chopra, R.
Deposit date:2009-12-16
Release date:2010-04-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.362 Å)
Cite:Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
5AAD
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BU of 5aad by Molmil
Aurora A kinase bound to an imidazopyridine inhibitor (7a)
Descriptor: 7-(1-benzyl-1H-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine, AURORA KINASE A, SULFATE ION
Authors:McIntyre, P.J, Kosmopoulou, M, Bayliss, R.
Deposit date:2015-07-24
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
4ZXT
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BU of 4zxt by Molmil
Complex of ERK2 with catechol
Descriptor: AMMONIUM ION, CATECHOL, Mitogen-activated protein kinase 1, ...
Authors:Kurinov, I, Malakhova, M.
Deposit date:2015-05-20
Release date:2016-05-25
Last modified:2016-10-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:A natural small molecule, catechol, induces c-Myc degradation by directly targeting ERK2 in lung cancer.
Oncotarget, 7, 2016
8W6K
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BU of 8w6k by Molmil
in situ room temperature Laue crystallography
Descriptor: Lysozyme C
Authors:Wang, Z.J, Wang, S.S, Pan, Q.Y, Yu, L, Su, Z.H, Yang, T.Y, Wang, Y.Z, Zhang, W.Z, Hao, Q, Gao, X.Y.
Deposit date:2023-08-29
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:BL03HB: Laue crystallography beamline at SSRF
To Be Published
8XPZ
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BU of 8xpz by Molmil
The Crystal Structure of TTBK1 from Biortus.
Descriptor: 1,2-ETHANEDIOL, Tau-tubulin kinase 1
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Ni, C.
Deposit date:2024-01-04
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Crystal Structure of TTBK1 from Biortus.
To Be Published
4ZY5
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BU of 4zy5 by Molmil
Crystal Structure of p21-activated kinase 1 in complex with an inhibitor compound 17
Descriptor: DIMETHYL SULFOXIDE, N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, SULFATE ION, ...
Authors:Rouge, L, Wang, W.
Deposit date:2015-05-21
Release date:2015-07-01
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
6S7N
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BU of 6s7n by Molmil
Crystal structure of orthorhombic lysozyme grown at pH 5.5 with a 26% of solvent content
Descriptor: Lysozyme C, SULFATE ION
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2019-07-05
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Major conformational changes in the structure of lysozyme obtained from a crystal with a very low solvent content.
Acta Crystallogr.,Sect.F, 75, 2019
3KJ6
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BU of 3kj6 by Molmil
Crystal structure of a Methylated beta2 Adrenergic Receptor-Fab complex
Descriptor: Beta-2 adrenergic receptor, Fab heavy chain, Fab light chain, ...
Authors:Bokoch, M.P, Zou, Y, Rasmussen, S.G.F, Liu, C.W, Nygaard, R, Rosenbaum, D.M, Fung, J.J, Choi, H.-J, Thian, F.S, Kobilka, T.S, Puglisi, J.D, Weis, W.I, Pardo, L, Prosser, S, Mueller, L, Kobilka, B.K.
Deposit date:2009-11-02
Release date:2010-02-16
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Ligand-specific regulation of the extracellular surface of a G-protein-coupled receptor.
Nature, 463, 2010

223532

數據於2024-08-07公開中

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