2K7G
 
 | | Solution Structure of varv F | | Descriptor: | Varv peptide F | | Authors: | Wang, C.K. | | Deposit date: | 2008-08-10 | | Release date: | 2009-02-10 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Combined X-ray and NMR analysis of the stability of the cyclotide cystine knot fold that underpins its insecticidal activity and potential use as a drug scaffold
J.Biol.Chem., 284, 2009
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3W3C
 | | Crystal structure of VirB core domain complexed with the cis-acting site upstream icsb promoter | | Descriptor: | DNA (26-MER), Virulence regulon transcriptional activator VirB | | Authors: | Gao, X.P, Waltersperger, S, Wang, M.T, Cui, S. | | Deposit date: | 2012-12-19 | | Release date: | 2013-09-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.431 Å) | | Cite: | Structural insights into VirB-DNA complexes reveal mechanism of transcriptional activation of virulence genes
Nucleic Acids Res., 41, 2013
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3WMC
 | | Crystal structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with naphthalimide derivative Q2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, Beta-hexosaminidase | | Authors: | Chen, L, Zhou, Y, Chen, L, Yang, Q. | | Deposit date: | 2013-11-16 | | Release date: | 2014-11-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.095 Å) | | Cite: | A crystal structure-guided rational design switching non-carbohydrate inhibitors' specificity between two beta-GlcNAcase homologs
Sci Rep, 4, 2014
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4Q1B
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7T8N
 | | Crystal structure of the PNAG binding module PgaA-TPR 220-359 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Poly-beta-1,6-N-acetyl-D-glucosamine export protein | | Authors: | Pfoh, R, Little, D.J, Howell, P.L. | | Deposit date: | 2021-12-16 | | Release date: | 2022-08-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | The TPR domain of PgaA is a multifunctional scaffold that binds PNAG and modulates PgaB-dependent polymer processing.
Plos Pathog., 18, 2022
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3O50
 | | Crystal structure of benzamide 9 bound to AuroraA | | Descriptor: | N-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6 | | Authors: | Huang, X. | | Deposit date: | 2010-07-27 | | Release date: | 2010-08-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor.
J.Med.Chem., 53, 2010
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3KDH
 | | Structure of ligand-free PYL2 | | Descriptor: | Putative uncharacterized protein At2g26040 | | Authors: | Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N. | | Deposit date: | 2009-10-22 | | Release date: | 2009-11-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.653 Å) | | Cite: | Structural insights into the mechanism of abscisic acid signaling by PYL proteins
Nat.Struct.Mol.Biol., 16, 2009
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4Q19
 | | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 5 {5-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL)SULFANYL]METHYL}-5-PROPYL-1,3-THIAZOL-2-YL)-2-METHOXYPHENOL} | | Descriptor: | 5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2014-04-03 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
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7YQ8
 | | Cryo-EM structure of human topoisomerase II beta in complex with DNA and etoposide | | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, 50-mer DNA, DNA topoisomerase 2-beta, ... | | Authors: | Naganuma, M, Ehara, H, Kim, D, Nakagawa, R, Cong, A, Bu, H, Jeong, J, Jang, J, Schellenberg, M.J, Bunch, H, Sekine, S. | | Deposit date: | 2022-08-05 | | Release date: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | ERK2-topoisomerase II regulatory axis is important for gene activation in immediate early genes.
Nat Commun, 14, 2023
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3T0H
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6NYH
 | | Structure of human RIPK1 kinase domain in complex with GNE684 | | Descriptor: | (5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Fong, R, Lupardus, P.J. | | Deposit date: | 2019-02-11 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | RIP1 inhibition blocks inflammatory diseases but not tumor growth or metastases.
Cell Death Differ., 27, 2020
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3T0Z
 | | Hsp90 N-terminal domain bound to ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-alpha, MAGNESIUM ION | | Authors: | Li, J. | | Deposit date: | 2011-07-21 | | Release date: | 2012-01-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.192 Å) | | Cite: | Structure insights into mechanisms of ATP hydrolysis and the activation of human heat-shock protein 90.
Acta Biochim Biophys Sin (Shanghai), 44, 2012
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4LWU
 | | The 1.14A Crystal Structure of Humanized Xenopus MDM2 with RO5499252 | | Descriptor: | (2'S,3R,4'S,5'R)-N-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Graves, B.J, Lukacs, C, Janson, C.A. | | Deposit date: | 2013-07-28 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Bioorg.Med.Chem., 22, 2014
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4Q18
 | | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 4 [1-[5-(4-{[(2,6-diaminopyrimidin-4-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol] | | Descriptor: | 1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2014-04-03 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
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7VS3
 | | The crystal structure of rat calcium-dependent activator protein for secretion (CAPS) C2PH | | Descriptor: | Calcium-dependent secretion activator 1, SULFATE ION | | Authors: | Zhou, H, Wei, Z.Q, Zhang, L, Ren, Y.J, Ma, C. | | Deposit date: | 2021-10-25 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.595 Å) | | Cite: | The C 2 and PH domains of CAPS constitute an effective PI(4,5)P2-binding unit essential for Ca 2+ -regulated exocytosis.
Structure, 31, 2023
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3KDJ
 | | Complex structure of (+)-ABA-bound PYL1 and ABI1 | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, MANGANESE (II) ION, Protein phosphatase 2C 56, ... | | Authors: | Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N. | | Deposit date: | 2009-10-23 | | Release date: | 2009-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.878 Å) | | Cite: | Structural insights into the mechanism of abscisic acid signaling by PYL proteins
Nat.Struct.Mol.Biol., 16, 2009
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5WQC
 | | Crystal structure of human orexin 2 receptor bound to the selective antagonist EMPA determined by the synchrotron light source at SPring-8. | | Descriptor: | N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, OLEIC ACID, Orexin receptor type 2,GlgA glycogen synthase,Orexin receptor type 2, ... | | Authors: | Suno, R, Hirata, K, Yamashita, K, Tsujimoto, H, Sasanuma, M, Horita, S, Yamamoto, M, Rosenbaum, D.M, Iwata, S, Shimamura, T, Kobayashi, T. | | Deposit date: | 2016-11-25 | | Release date: | 2017-11-29 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal Structures of Human Orexin 2 Receptor Bound to the Subtype-Selective Antagonist EMPA
Structure, 26, 2018
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3KDI
 | | Structure of (+)-ABA bound PYL2 | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Putative uncharacterized protein At2g26040 | | Authors: | Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N. | | Deposit date: | 2009-10-22 | | Release date: | 2009-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.379 Å) | | Cite: | Structural insights into the mechanism of abscisic acid signaling by PYL proteins
Nat.Struct.Mol.Biol., 16, 2009
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8FEZ
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8TBP
 | | HLA-DRB1*15:01 in complex with smith antigen | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ... | | Authors: | Ting, Y.T, Broury, A, Ooi, J. | | Deposit date: | 2023-06-29 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.12621117 Å) | | Cite: | Smith-specific regulatory T cells halt the progression of lupus nephritis.
Nat Commun, 15, 2024
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7C2S
 | | Helical reconstruction of Dengue virus serotype 3 complexed with Fab C10 | | Descriptor: | Heavy chain of Fab C10, envelope protein, light chain of Fab C10 | | Authors: | Morrone, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Zhang, S, Lok, S.M. | | Deposit date: | 2020-05-09 | | Release date: | 2020-07-08 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (10.4 Å) | | Cite: | High flavivirus structural plasticity demonstrated by a non-spherical morphological variant.
Nat Commun, 11, 2020
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7C2T
 | | Helical reconstruction of Zika virus complexed with Fab C10 | | Descriptor: | Heavy chain from Fab C10, Light chain from Fab C10, M protein, ... | | Authors: | Morrone, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Zhang, S, Lok, S.M. | | Deposit date: | 2020-05-09 | | Release date: | 2020-07-08 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (9.4 Å) | | Cite: | High flavivirus structural plasticity demonstrated by a non-spherical morphological variant.
Nat Commun, 11, 2020
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2LN0
 | | Structure of MOZ | | Descriptor: | Histone acetyltransferase KAT6A, ZINC ION | | Authors: | Qiu, Y. | | Deposit date: | 2011-12-15 | | Release date: | 2012-06-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription.
Genes Dev., 26, 2012
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5FEJ
 | | CopM in the Cu(I)-bound form | | Descriptor: | COPPER (I) ION, CopM | | Authors: | Zhao, S, Wang, X, Liu, L. | | Deposit date: | 2015-12-17 | | Release date: | 2016-09-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for copper/silver binding by the Synechocystis metallochaperone CopM.
Acta Crystallogr D Struct Biol, 72, 2016
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5FFA
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