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5FV5
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BU of 5fv5 by Molmil
KpFlo11 presents a novel member of the Flo11 family with a unique recognition pattern for homophilic interactions
Descriptor: ACETATE ION, Flocculation protein FLO11
Authors:Kraushaar, T, Brueckner, S, Mikolaiski, M, Schreiner, F, Veelders, M, Moesch, H.U, Essen, L.O.
Deposit date:2016-02-03
Release date:2017-02-22
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Kin discrimination in social yeast is mediated by cell surface receptors of the Flo11 adhesin family.
Elife, 9, 2020
8UYN
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BU of 8uyn by Molmil
Fundamental Characterization of Chelated and Crystallized Actinium in a Macromolecular Host
Descriptor: LANTHANUM (III) ION, N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide], Neutrophil gelatinase-associated lipocalin, ...
Authors:Rupert, P.B, Strong, R.K.
Deposit date:2023-11-13
Release date:2024-09-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Actinium chelation and crystallization in a macromolecular scaffold.
Nat Commun, 15, 2024
8UZ9
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BU of 8uz9 by Molmil
Fundamental Characterization of Chelated and Crystallized Actinium in a Macromolecular Host
Descriptor: Actinium Ion, CHLORIDE ION, N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide], ...
Authors:Rupert, P.B, Strong, R.K.
Deposit date:2023-11-14
Release date:2024-09-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Actinium chelation and crystallization in a macromolecular scaffold.
Nat Commun, 15, 2024
2IL2
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BU of 2il2 by Molmil
Crystal Structure of Human Renin Complexed with Inhibitor
Descriptor: CITRIC ACID, N-[2-({2-AMINO-6-ETHYL-5-[4-(3-METHOXYPROPYL)-2,2-DIMETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL]PYRIMIDIN-4-YL}AMINO)ETHYL]NAPHTHALENE-2-SULFONAMIDE, Renin
Authors:Mochalkin, I.
Deposit date:2006-10-02
Release date:2006-12-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Binding thermodynamics of substituted diaminopyrimidine renin inhibitors.
Anal.Biochem., 360, 2007
2IKU
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BU of 2iku by Molmil
Crystal Structure of Human Renin Complexed with Inhibitors
Descriptor: 6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]PYRIMIDINE-2,4-DIAMINE, Renin
Authors:Mochalkin, I.
Deposit date:2006-10-02
Release date:2006-12-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding thermodynamics of substituted diaminopyrimidine renin inhibitors.
Anal.Biochem., 360, 2007
2IKO
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BU of 2iko by Molmil
Crystal Structure of Human Renin Complexed with Inhibitor
Descriptor: 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE, Renin
Authors:Mochalkin, I.
Deposit date:2006-10-02
Release date:2006-11-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Binding thermodynamics of substituted diaminopyrimidine renin inhibitors.
Anal.Biochem., 360, 2007
2GJ4
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BU of 2gj4 by Molmil
Structure of rabbit muscle glycogen phosphorylase in complex with ligand
Descriptor: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DIHYDRO-1H-INDEN-2-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE, Glycogen phosphorylase, ...
Authors:Otterbein, L.R, Pannifer, A.D, Tucker, J, Breed, J, Oikonomakos, N.G, Rowsell, S, Pauptit, R.A, Claire, M.
Deposit date:2006-03-30
Release date:2007-02-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel thienopyrrole glycogen phosphorylase inhibitors: synthesis, in vitro SAR and crystallographic studies.
Bioorg.Med.Chem.Lett., 16, 2006
6HRV
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BU of 6hrv by Molmil
Crystal structure of the zebrafish peroxisomal SCP2-thiolase (type-1)
Descriptor: ACETATE ION, GLYCEROL, SCP2-thiolase (type-1)
Authors:Wierenga, R.K, Kiema, T.R, Thapa, C.J.
Deposit date:2018-09-28
Release date:2019-01-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The peroxisomal zebrafish SCP2-thiolase (type-1) is a weak transient dimer as revealed by crystal structures and native mass spectrometry.
Biochem. J., 476, 2019
6HSP
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BU of 6hsp by Molmil
Crystal structure of the zebrafish peroxisomal SCP2-thiolase (type-1) in complex with CoA and octanoyl-CoA
Descriptor: COENZYME A, GLYCEROL, OCTANOYL-COENZYME A, ...
Authors:Wierenga, R.K, Kiema, T.R, Thapa, C.J.
Deposit date:2018-10-01
Release date:2019-01-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The peroxisomal zebrafish SCP2-thiolase (type-1) is a weak transient dimer as revealed by crystal structures and native mass spectrometry.
Biochem. J., 476, 2019
6C9O
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BU of 6c9o by Molmil
Selenomethionine mutant (V29Sem) of protein GB1 examined by X-ray diffraction
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Immunoglobulin G-binding protein G
Authors:Chen, Q.
Deposit date:2018-01-28
Release date:2019-07-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:77Se NMR Probes the Protein Environment of Selenomethionine.
J.Phys.Chem.B, 2020
7AI3
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BU of 7ai3 by Molmil
Crystal structure of MCE domain of Mce4A from Mycobacterium tuberculosis H37Rv
Descriptor: Mce-family protein Mce4A
Authors:Asthana, P, Venkatesan, R.
Deposit date:2020-09-25
Release date:2021-08-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insights into the substrate-binding proteins Mce1A and Mce4A from Mycobacterium tuberculosis .
Iucrj, 8, 2021
7AI2
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BU of 7ai2 by Molmil
Crystal structure of Se-Met labelled MCE domain of Mce4A from Mycobacterium tuberculosis H37Rv
Descriptor: Mce-family protein Mce4A
Authors:Asthana, P, Venkatesan, R.
Deposit date:2020-09-25
Release date:2021-08-25
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (3.61 Å)
Cite:Structural insights into the substrate-binding proteins Mce1A and Mce4A from Mycobacterium tuberculosis .
Iucrj, 8, 2021
6HSJ
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BU of 6hsj by Molmil
Crystal structure of the zebrafish peroxisomal SCP2-thiolase (type-1) in complex with CoA
Descriptor: ACETATE ION, COENZYME A, GLYCEROL, ...
Authors:Wierenga, R.K, Kiema, T.R, Thapa, C.J.
Deposit date:2018-10-01
Release date:2019-01-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:The peroxisomal zebrafish SCP2-thiolase (type-1) is a weak transient dimer as revealed by crystal structures and native mass spectrometry.
Biochem. J., 476, 2019
5NPL
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BU of 5npl by Molmil
Crystal structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria, Yb-derivative at 2.8 A resolution
Descriptor: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, Similar to tr|Q8YYT1|Q8YYT1, YTTERBIUM (III) ION
Authors:Hackenberg, C, Hakanpaa, J, Antonyuk, S.V, Dittmann, E, Lamzin, V.S.
Deposit date:2017-04-17
Release date:2018-05-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural and functional insights into the unique CBS-CP12 fusion protein family in cyanobacteria.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4NUT
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BU of 4nut by Molmil
Crystal structure of the complex between Snu13p and the PEP domain of Rsa1
Descriptor: 13 kDa ribonucleoprotein-associated protein, Ribosome assembly 1 protein, SULFATE ION
Authors:Charron, C, Chagot, M.E, Manival, X, Branlant, C, Charpentier, B.
Deposit date:2013-12-04
Release date:2014-12-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Proteomic and 3D structure analyses highlight the C/D box snoRNP assembly mechanism and its control
J.Cell Biol., 207, 2014
6CKT
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BU of 6ckt by Molmil
Crystal structure of 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Legionella pneumophila Philadelphia 1
Descriptor: 1,2-ETHANEDIOL, 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-02-28
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Legionella pneumophila Philadelphia 1
to be published
6CTE
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BU of 6cte by Molmil
77Se-NMR probes the protein environment of selenomethionine
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
Authors:Chen, Q, Rozovsky, S.
Deposit date:2018-03-22
Release date:2019-07-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:77Se NMR Probes the Protein Environment of Selenomethionine.
J.Phys.Chem.B, 124, 2020
6CPZ
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BU of 6cpz by Molmil
Selenomethionine mutant (I6Sem) of protein GB1 examined by X-ray diffraction
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Immunoglobulin G-binding protein G, ...
Authors:Chen, Q, Rozovsky, S.
Deposit date:2018-03-14
Release date:2019-07-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:77Se NMR Probes the Protein Environment of Selenomethionine.
J.Phys.Chem.B, 124, 2020
6CHE
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BU of 6che by Molmil
Selenomethionine mutant (A34Sem) of protein GB1 examined by X-ray diffraction
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, IMIDAZOLE, Immunoglobulin G-binding protein G
Authors:Chen, Q.
Deposit date:2018-02-22
Release date:2019-07-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:77Se NMR Probes the Protein Environment of Selenomethionine.
J.Phys.Chem.B, 124, 2020
4OVU
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BU of 4ovu by Molmil
Crystal Structure of p110alpha in complex with niSH2 of p85alpha
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
Deposit date:2014-01-14
Release date:2014-09-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Structural basis of nSH2 regulation and lipid binding in PI3K alpha.
Oncotarget, 5, 2014
7ZSC
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BU of 7zsc by Molmil
Crystal structure of the heterodimeric human C-P4H-II with truncated alpha subunit (C-P4H-II delta281)
Descriptor: Prolyl 4-hydroxylase subunit alpha-2, Protein disulfide-isomerase, SULFATE ION
Authors:Lebedev, A, Koski, M.K, Wierenga, R.K, Murthy, A.V, Sulu, R.
Deposit date:2022-05-06
Release date:2022-11-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.85 Å)
Cite:Crystal structure of the collagen prolyl 4-hydroxylase (C-P4H) catalytic domain complexed with PDI: Toward a model of the C-P4H alpha 2 beta 2 tetramer.
J.Biol.Chem., 298, 2022
5EM8
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BU of 5em8 by Molmil
EGFR kinase domain with pyridone compound 13: 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide
Descriptor: 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide, Epidermal growth factor receptor
Authors:Eigenbrot, C, Yu, C.
Deposit date:2015-11-05
Release date:2015-12-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Pyridones as Highly Selective, Noncovalent Inhibitors of T790M Double Mutants of EGFR.
Acs Med.Chem.Lett., 7, 2016
5EM6
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BU of 5em6 by Molmil
EGFR kinase domain mutant "TMLR" with pyridone compound 19: 4-[(2-azanylpyrimidin-4-yl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide
Descriptor: 4-[(2-azanylpyrimidin-4-yl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION
Authors:Eigenbrot, C, Yu, C.
Deposit date:2015-11-05
Release date:2015-12-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Pyridones as Highly Selective, Noncovalent Inhibitors of T790M Double Mutants of EGFR.
Acs Med.Chem.Lett., 7, 2016
7R9L
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BU of 7r9l by Molmil
Crystal structure of HPK1 in complex with compound 2
Descriptor: 2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide, Hematopoietic progenitor kinase
Authors:Wu, P, Lehoux, I, Wang, W.
Deposit date:2021-06-29
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.332 Å)
Cite:Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
7R9P
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BU of 7r9p by Molmil
Crystal structure of HPK1 in complex with compound 14
Descriptor: 6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide, Hematopoietic progenitor kinase, SULFATE ION
Authors:Wu, P, Lehoux, I, Wang, W.
Deposit date:2021-06-29
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022

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