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7N37
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BU of 7n37 by Molmil
Crystal structure of 3-site deamidated variant of human gamma(S)-crystallin
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Gamma-crystallin S, MAGNESIUM ION
Authors:Norton-Baker, B, Mehrabi, P, Martin, R.W.
Deposit date:2021-05-31
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Deamidation of the human eye lens protein gamma S-crystallin accelerates oxidative aging.
Structure, 30, 2022
7N38
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BU of 7n38 by Molmil
Crystal structure of 5-site deamidated variant of human gamma(S)-crystallin
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Gamma-crystallin S, MAGNESIUM ION
Authors:Norton-Baker, B, Mehrabi, P, Martin, R.W.
Deposit date:2021-05-31
Release date:2022-03-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Deamidation of the human eye lens protein gamma S-crystallin accelerates oxidative aging.
Structure, 30, 2022
7N39
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BU of 7n39 by Molmil
Crystal structure of 7-site deamidated variant of human gamma(S)-crystallin
Descriptor: Gamma-crystallin S, SULFATE ION
Authors:Norton-Baker, B, Mehrabi, P, Martin, R.W.
Deposit date:2021-05-31
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Deamidation of the human eye lens protein gamma S-crystallin accelerates oxidative aging.
Structure, 30, 2022
7N3A
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BU of 7n3a by Molmil
Crystal structure of 9-site deamidated variant of human gamma(S)-crystallin
Descriptor: Gamma-crystallin S
Authors:Norton-Baker, B, Mehrabi, P, Martin, R.W.
Deposit date:2021-05-31
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Deamidation of the human eye lens protein gamma S-crystallin accelerates oxidative aging.
Structure, 30, 2022
4N37
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BU of 4n37 by Molmil
Structure of langerin CRD I313 D288 complexed with Me-Man
Descriptor: C-type lectin domain family 4 member K, CALCIUM ION, methyl alpha-D-mannopyranoside
Authors:Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E.
Deposit date:2013-10-06
Release date:2013-11-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Common polymorphisms in human langerin change specificity for glycan ligands.
J.Biol.Chem., 288, 2013
7N3B
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BU of 7n3b by Molmil
Crystal structure of aged 9-site deamidated variant of human gamma(S)-crystallin
Descriptor: Gamma-crystallin S
Authors:Norton-Baker, B, Mehrabi, P, Martin, R.W.
Deposit date:2021-05-31
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Deamidation of the human eye lens protein gamma S-crystallin accelerates oxidative aging.
Structure, 30, 2022
4N8Z
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BU of 4n8z by Molmil
In situ lysozyme crystallized on a MiTeGen micromesh with benzamidine ligand
Descriptor: BENZAMIDINE, CHLORIDE ION, Lysozyme C, ...
Authors:Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S.
Deposit date:2013-10-18
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes.
Acta Crystallogr.,Sect.D, 70, 2014
4N4C
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BU of 4n4c by Molmil
Crystal structure of the C-terminal swapped dimer of a Bovine seminal ribonuclease mutant
Descriptor: PHOSPHATE ION, Seminal ribonuclease
Authors:Pica, A, Russo Krauss, I, Merlino, A, Sica, F.
Deposit date:2013-10-08
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:The multiple forms of bovine seminal ribonuclease: Structure and stability of a C-terminal swapped dimer.
Febs Lett., 587, 2013
6G77
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BU of 6g77 by Molmil
RSK4 N-terminal Kinase Domain in complex with AMP-PNP
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6, ZINC ION
Authors:Prischi, F, Ali, M.M.
Deposit date:2018-04-04
Release date:2019-04-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer.
Sci Transl Med, 13, 2021
4N6M
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BU of 4n6m by Molmil
Crystal structure of human cystatin E/M produced in LEXSY
Descriptor: Cystatin-M, SULFATE ION
Authors:Dall, E, Brandstetter, H.
Deposit date:2013-10-14
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and mechanism of an aspartimide-dependent Peptide ligase in human legumain.
Angew.Chem.Int.Ed.Engl., 54, 2015
4N6V
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BU of 4n6v by Molmil
Partial rotational order disorder structure of human stefin B
Descriptor: Cystatin-B, SULFATE ION
Authors:Renko, M, Taler-Vercic, A, Mihelic, M, Zerovnik, E, Turk, D.
Deposit date:2013-10-14
Release date:2014-04-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Partial rotational lattice order-disorder in stefin B crystals.
Acta Crystallogr.,Sect.D, 70, 2014
6GC5
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BU of 6gc5 by Molmil
Molecular basis for AU-rich element recognition and dimerization by the HuR C-terminal RRM
Descriptor: AU-rich RNA, ELAV-like protein 1
Authors:Ripin, N, Allain, F.H.
Deposit date:2018-04-17
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular basis for AU-rich element recognition and dimerization by the HuR C-terminal RRM.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
4N7P
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BU of 4n7p by Molmil
Capturing the haemoglobin allosteric transition in a single crystal form; Crystal structure of half-liganded human haemoglobin without phosphate at 2.8 A resolution.
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Sugiyama, K, Shibayama, N, Park, S.Y.
Deposit date:2013-10-16
Release date:2014-04-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.809 Å)
Cite:Capturing the hemoglobin allosteric transition in a single crystal form
J.Am.Chem.Soc., 136, 2014
4MPX
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BU of 4mpx by Molmil
Human beta-tryptase co-crystal structure with [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzothiene-4,2-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, SULFATE ION, ...
Authors:White, A, Stein, A.J, Suto, R.
Deposit date:2013-09-13
Release date:2015-03-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Target-directed self-assembly of homodimeric drugs
To be Published
6GD6
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BU of 6gd6 by Molmil
Cytochrome c in complex with Sulfonato-calix[8]arene, H3 form with ammonium sulfate
Descriptor: Cytochrome c iso-1, HEME C, SULFATE ION, ...
Authors:Rennie, M.L, Fox, G.C, Crowley, P.B.
Deposit date:2018-04-23
Release date:2018-08-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Auto-regulated Protein Assembly on a Supramolecular Scaffold.
Angew. Chem. Int. Ed. Engl., 57, 2018
4N8T
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BU of 4n8t by Molmil
Human hemoglobin nitric oxide adduct
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRIC OXIDE, ...
Authors:Yi, J, Richter-Addo, G.B.
Deposit date:2013-10-18
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic characterization of the nitric oxide derivative of R-state human hemoglobin.
Nitric Oxide, 39, 2014
6GD9
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BU of 6gd9 by Molmil
Cytochrome c in complex with Sulfonato-calix[8]arene, P43212 form
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cytochrome c iso-1, HEME C, ...
Authors:Rennie, M.L, Fox, G.C, Crowley, P.B.
Deposit date:2018-04-23
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Auto-regulated Protein Assembly on a Supramolecular Scaffold.
Angew. Chem. Int. Ed. Engl., 57, 2018
4N9R
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BU of 4n9r by Molmil
X-ray structure of the complex between hen egg white lysozyme and pentacholrocarbonyliridate(III) (1 day)
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
Authors:Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A.
Deposit date:2013-10-21
Release date:2015-12-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
7E1H
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BU of 7e1h by Molmil
crystal structure of RD-BEF
Descriptor: BERYLLIUM TRIFLUORIDE ION, DNA-binding response regulator, MAGNESIUM ION
Authors:Hong, S, Zhang, X, Zhang, P.
Deposit date:2021-02-01
Release date:2022-02-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Structural basis of phosphorylation-induced activation of the response regulator VbrR.
Acta Biochim.Biophys.Sin., 2023
6GEO
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BU of 6geo by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP121A1 in complex with Triazole Pyrazole inhibitor 10j
Descriptor: 2-chloranyl-3-[4-(imidazol-1-ylmethyl)-1-phenyl-pyrazol-3-yl]-1~{H}-indole, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.W.
Deposit date:2018-04-27
Release date:2019-08-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design and Synthesis of Imidazole and Triazole Pyrazoles asMycobacterium TuberculosisCYP121A1 Inhibitors.
Chemistryopen, 8, 2019
7DY3
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BU of 7dy3 by Molmil
High resolution crystal structure of hemoglobin M Iwate.
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ohki, M, Park, S.-Y.
Deposit date:2021-01-20
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High resolution crystal structure of hemoglobin M Iwate.
To Be Published
6GDA
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BU of 6gda by Molmil
Cytochrome c in complex with Sulfonato-calix[8]arene, P43212 form soaked with Spermine
Descriptor: Cytochrome c iso-1, HEME C, SPERMINE, ...
Authors:Rennie, M.L, Fox, G.C, Crowley, P.B.
Deposit date:2018-04-23
Release date:2019-05-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Tuning Protein Frameworks via Auxiliary Supramolecular Interactions.
Acs Nano, 13, 2019
7DY4
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BU of 7dy4 by Molmil
High resolution crystal structure of hemoglobin M Boston.
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ohki, M, Park, S.-Y.
Deposit date:2021-01-20
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:High resolution crystal structure of hemoglobin M Boston.
To Be Published
6GE0
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BU of 6ge0 by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]ethanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:O'Reilly, M.
Deposit date:2018-04-25
Release date:2018-05-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
4MNX
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BU of 4mnx by Molmil
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK811
Descriptor: 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, GLYCEROL, SULFATE ION, ...
Authors:Chen, S, Pojer, F, Heinis, C.
Deposit date:2013-09-11
Release date:2014-02-05
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Peptide ligands stabilized by small molecules.
Angew.Chem.Int.Ed.Engl., 53, 2014

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數據於2024-10-16公開中

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