6B5K
 
 | | Mycobacterium tuberculosis RmlA in complex with Mg/dTTP | | Descriptor: | 1,2-ETHANEDIOL, Glucose-1-phosphate thymidylyltransferase, MAGNESIUM ION, ... | | Authors: | Brown, H.A, Holden, H.A. | | Deposit date: | 2017-09-29 | | Release date: | 2018-02-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structure of glucose-1-phosphate thymidylyltransferase from Mycobacterium tuberculosis reveals the location of an essential magnesium ion in the RmlA-type enzymes.
Protein Sci., 27, 2018
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5DU3
 | | Active form of human C1-inhibitor | | Descriptor: | Plasma protease C1 inhibitor | | Authors: | Pannu, N.S, Dijk, M, Holkers, J, Voskamp, P, Giannetti, B.M, Waterreus, W.J, van Veen, H.A. | | Deposit date: | 2015-09-18 | | Release date: | 2016-08-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | How Dextran Sulfate Affects C1-inhibitor Activity: A Model for Polysaccharide Potentiation.
Structure, 24, 2016
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1I4W
 | | THE CRYSTAL STRUCTURE OF THE TRANSCRIPTION FACTOR SC-MTTFB OFFERS INTRIGUING INSIGHTS INTO MITOCHONDRIAL TRANSCRIPTION | | Descriptor: | MITOCHONDRIAL REPLICATION PROTEIN MTF1, XENON | | Authors: | Schubot, F.D, Chen, C.-J, Rose, J.P, Dailey, T.A, Dailey, H.A, Wang, B.-C. | | Deposit date: | 2001-02-23 | | Release date: | 2001-10-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the transcription factor sc-mtTFB offers insights into mitochondrial transcription.
Protein Sci., 10, 2001
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6R7S
 | | Human Serum Albumin, complexed with Sulfasalazine | | Descriptor: | 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, DIMETHYL SULFOXIDE, SULFATE ION, ... | | Authors: | Schreuder, H.A, Liesum, A. | | Deposit date: | 2019-03-29 | | Release date: | 2020-04-08 | | Last modified: | 2020-05-13 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Resolving Binding Events on the Multifunctional Human Serum Albumin.
Chemmedchem, 15, 2020
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3UEB
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4F4D
 | | F337R variant of human ferrochelatase | | Descriptor: | CHLORIDE ION, CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Lanzilotta, W.N, Medlock, A.E, Dailey, T.E, Dailey, H.A. | | Deposit date: | 2012-05-10 | | Release date: | 2012-09-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | F337R Variant of Human Ferrochelatase
TO BE PUBLISHED
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4V2S
 | | Crystal structure of Hfq in complex with the sRNA RydC | | Descriptor: | RNA-BINDING PROTEIN HFQ, RYDC | | Authors: | Dimastrogiovanni, D, Frohlich, K.S, Bruce, H.A, Bandyra, K.J, Hohensee, S, Vogel, J, Luisi, B.F. | | Deposit date: | 2014-10-14 | | Release date: | 2015-01-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.48 Å) | | Cite: | Recognition of the small regulatory RNA RydC by the bacterial Hfq protein.
Elife, 3, 2014
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4MK4
 | | S197C variant of human ferrochelatase. | | Descriptor: | CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferrochelatase, ... | | Authors: | Lanzilotta, W.N, Medlock, A.E, Dailey, T.E, Dailey, H.A. | | Deposit date: | 2013-09-04 | | Release date: | 2013-09-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | S197C variant of human ferrochelatase.
To be Published
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8R3T
 | | Cofactor-free Tau 4R2N isoform | | Descriptor: | Microtubule-associated protein tau | | Authors: | Limorenko, G, Tatli, M, Kolla, R, Nazarov, S, Weil, M.T, Schondorf, D.C, Geist, D, Reinhardt, P, Ehrnhoefer, D.E, Stahlberg, H, Gasparini, L, Lashuel, H.A. | | Deposit date: | 2023-11-10 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Fully co-factor-free ClearTau platform produces seeding-competent Tau fibrils for reconstructing pathological Tau aggregates.
Nat Commun, 14, 2023
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8AP4
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5OBN
 | | NMR solution structure of U11/U12 65K protein's C-terminal RRM domain (381-516) | | Descriptor: | RNA-binding protein 40 | | Authors: | Norppa, A.J, Kauppala, T.M, Heikkinen, H.A, Verma, B, Iwai, H, Frilander, M.J. | | Deposit date: | 2017-06-28 | | Release date: | 2018-01-24 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Mutations in the U11/U12-65K protein associated with isolated growth hormone deficiency lead to structural destabilization and impaired binding of U12 snRNA.
RNA, 24, 2018
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6ADV
 | | Crystal Structure Analysis of the duplex containing the S2T(2',4'-BNA/LNA)G mismatch pairs | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(9V9)P*GP*CP*G)-3' | | Authors: | Aoyama, H.A, Habuchi, T.H, Yamaguchi, T.Y, Obika, S.O. | | Deposit date: | 2018-08-02 | | Release date: | 2019-03-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Hybridization and Mismatch Discrimination Abilities of 2',4'-Bridged Nucleic Acids Bearing 2-Thiothymine or 2-Selenothymine Nucleobase.
J. Org. Chem., 84, 2019
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5KQF
 | | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine (compound 12) bound to BACE1 | | Descriptor: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1 | | Authors: | Lewis, H.A, Wu, Y.J, Rajamani, R, Thompson, L.A. | | Deposit date: | 2016-07-06 | | Release date: | 2016-09-07 | | Last modified: | 2016-10-05 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of S3-Truncated, C-6 Heteroaryl Substituted Aminothiazine beta-Site APP Cleaving Enzyme-1 (BACE1) Inhibitors.
J.Med.Chem., 59, 2016
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5KR8
 | | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (compound 5) bound to BACE1 | | Descriptor: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, IODIDE ION | | Authors: | Lewis, H.A, Wu, Y.J, Rajamani, R, Thompson, L.A. | | Deposit date: | 2016-07-07 | | Release date: | 2016-09-07 | | Last modified: | 2016-10-05 | | Method: | X-RAY DIFFRACTION (2.118 Å) | | Cite: | Discovery of S3-Truncated, C-6 Heteroaryl Substituted Aminothiazine beta-Site APP Cleaving Enzyme-1 (BACE1) Inhibitors.
J.Med.Chem., 59, 2016
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3L4B
 | | Crystal Structure of an Octomeric Two-Subunit TrkA K+ Channel Ring Gating Assembly, TM1088A:TM1088B, from Thermotoga maritima | | Descriptor: | ADENOSINE MONOPHOSPHATE, TrkA K+ Channel protein TM1088A, TrkA K+ Channel protein TM1088B, ... | | Authors: | Deller, M.C, Johnson, H.A, Miller, M, Spraggon, G, Wilson, I.A, Lesley, S.A, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2009-12-18 | | Release date: | 2010-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Crystal Structure of an Octomeric Two-Subunit TrkA K+ Channel Ring Gating Assembly, TM1088A:TM1088B, from Thermotoga maritima
To be Published
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2G3N
 | | Crystal structure of the Sulfolobus solfataricus alpha-glucosidase MalA in complex with beta-octyl-glucopyranoside | | Descriptor: | Alpha-glucosidase, octyl beta-D-glucopyranoside | | Authors: | Ernst, H.A, Lo Leggio, L, Willemoes, M, Leonard, G, Blum, P, Larsen, S. | | Deposit date: | 2006-02-20 | | Release date: | 2006-05-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure of the Sulfolobus solfataricus alpha-Glucosidase: Implications for Domain Conservation and Substrate Recognition in GH31.
J.Mol.Biol., 358, 2006
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2G3M
 | | Crystal structure of the Sulfolobus solfataricus alpha-glucosidase MalA | | Descriptor: | Alpha-glucosidase | | Authors: | Ernst, H.A, Lo Leggio, L, Willemoes, M, Leonard, G, Blum, P, Larsen, S. | | Deposit date: | 2006-02-20 | | Release date: | 2006-05-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure of the Sulfolobus solfataricus alpha-Glucosidase: Implications for Domain Conservation and Substrate Recognition in GH31.
J.Mol.Biol., 358, 2006
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3LHB
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7NTH
 | | Structure of TAK1 in complex with compound 54 | | Descriptor: | 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | | Deposit date: | 2021-03-09 | | Release date: | 2021-04-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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7NTI
 | | Structure of TAK1 in complex with compound 22 | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ... | | Authors: | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | | Deposit date: | 2021-03-09 | | Release date: | 2021-04-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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4Y66
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4WPF
 | | Crystal structure of RORc in complex with a phenyl sulfonamide agonist | | Descriptor: | N-[4-(4-acetylpiperazin-1-yl)-2-fluorobenzyl]-N-cyclobutylbenzenesulfonamide, Nuclear receptor ROR-gamma, RHKILHRLLQEGSPS | | Authors: | Kiefer, J.R, Wallweber, H.A, de Leon Boenig, G, Hymowitz, S.G. | | Deposit date: | 2014-10-18 | | Release date: | 2015-01-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action.
Acs Med.Chem.Lett., 6, 2015
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3AQI
 | | H240A variant of human ferrochelatase | | Descriptor: | CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferrochelatase, ... | | Authors: | Lanzilotta, W.N, Medlock, A.E, Dailey, T.A, Dailey, H.A. | | Deposit date: | 2010-11-03 | | Release date: | 2012-01-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | H240A variant of human ferrochelatase
To be published
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3C6R
 | | Low pH Immature Dengue Virus | | Descriptor: | Envelope protein, Peptide pr | | Authors: | Yu, I, Zhang, W, Holdway, H.A, Li, L, Kostyuchenko, V.A, Chipman, P.R, Kuhn, R.J, Rossmann, M.G, Chen, J. | | Deposit date: | 2008-02-05 | | Release date: | 2008-04-22 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (25 Å) | | Cite: | Structure of the immature dengue virus at low pH primes proteolytic maturation
Science, 319, 2008
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6XDB
 | | Crystal structure of IRE1a in complex with G-6904 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-N-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)quinazoline-8-carboxamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Wallweber, H.A, Weiru, W. | | Deposit date: | 2020-06-10 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
Acs Med.Chem.Lett., 11, 2020
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