4ETJ
 
 | | Crystal Structure of E6H variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR185 | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, ... | | Authors: | Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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4JIP
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4JIQ
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4ESS
 | | Crystal Structure of E6D/L155R variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR187 | | Descriptor: | OR187 | | Authors: | Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-04-23 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9971 Å) | | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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5TMG
 | | Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1H-1,2,3-triazole-4-carboxamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. | | Deposit date: | 2016-10-12 | | Release date: | 2017-10-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor
To be published
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5TMK
 | | Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor | | Descriptor: | 1-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-5-phenyl-1H-pyrrole-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-10-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor
To be published
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4XK0
 | | Crystal structure of a tetramolecular RNA G-quadruplex in potassium | | Descriptor: | BARIUM ION, POTASSIUM ION, RNA (5'-(*UP*GP*GP*GP*GP*U)-3') | | Authors: | Chen, M.C, Murat, P, Abecassis, K.A, Ferre-D'Amare, A.R, Balasubramanian, S. | | Deposit date: | 2015-01-09 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Insights into the mechanism of a G-quadruplex-unwinding DEAH-box helicase.
Nucleic Acids Res., 43, 2015
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1HMK
 | | RECOMBINANT GOAT ALPHA-LACTALBUMIN | | Descriptor: | CALCIUM ION, PROTEIN (ALPHA-LACTALBUMIN) | | Authors: | Horii, K, Matsushima, M, Tsumoto, K, Kumagai, I. | | Deposit date: | 1998-11-26 | | Release date: | 1999-11-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Effect of the extra n-terminal methionine residue on the stability and folding of recombinant alpha-lactalbumin expressed in Escherichia coli.
J.Mol.Biol., 285, 1999
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5EMI
 | | N-acetylmuramoyl-L-alanine amidase AmiC2 of Nostoc punctiforme | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cell wall hydrolase/autolysin, ... | | Authors: | Buettner, F.M, Stehle, T. | | Deposit date: | 2015-11-06 | | Release date: | 2016-02-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Enabling cell-cell communication via nanopore formation: structure, function and localization of the unique cell wall amidase AmiC2 of Nostoc punctiforme.
Febs J., 283, 2016
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6L9V
 | | Crystal structure of mouse TIFA (T9D/C36S mutant) | | Descriptor: | TRAF-interacting protein with FHA domain-containing protein A | | Authors: | Nakamura, T, Yamagata, Y. | | Deposit date: | 2019-11-11 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural analysis of TIFA: Insight into TIFA-dependent signal transduction in innate immunity.
Sci Rep, 10, 2020
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6L9U
 | | Crystal structure of mouse TIFA | | Descriptor: | TRAF-interacting protein with FHA domain-containing protein A | | Authors: | Nakamura, T, Yamagata, Y. | | Deposit date: | 2019-11-11 | | Release date: | 2020-04-01 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Structural analysis of TIFA: Insight into TIFA-dependent signal transduction in innate immunity.
Sci Rep, 10, 2020
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4INS
 | | THE STRUCTURE OF 2ZN PIG INSULIN CRYSTALS AT 1.5 ANGSTROMS RESOLUTION | | Descriptor: | INSULIN (CHAIN A), INSULIN (CHAIN B), ZINC ION | | Authors: | Dodson, G.G, Dodson, E.J, Hodgkin, D.C, Isaacs, N.W, Vijayan, M. | | Deposit date: | 1989-07-10 | | Release date: | 1990-04-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The structure of 2Zn pig insulin crystals at 1.5 A resolution.
Philos.Trans.R.Soc.London,Ser.B, 319, 1988
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7EF9
 | | Crystal structure of mouse MUTYH in complex with DNA containing AP site analogue:8-oxoG (Form II) | | Descriptor: | Adenine DNA glycosylase, DNA (5'-D(*AP*TP*GP*AP*GP*AP*CP*(8OG)P*GP*GP*GP*AP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*TP*CP*CP*CP*(3DR)P*GP*TP*CP*TP*C)-3'), ... | | Authors: | Nakamura, T, Nakabeppu, Y, Yamagata, Y. | | Deposit date: | 2021-03-21 | | Release date: | 2021-06-23 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure of the mammalian adenine DNA glycosylase MUTYH: insights into the base excision repair pathway and cancer.
Nucleic Acids Res., 49, 2021
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6A1G
 | | Crystal structure of human DYRK1A in complex with compound 32 | | Descriptor: | 5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | Baba, D, Hanzawa, H. | | Deposit date: | 2018-06-07 | | Release date: | 2018-10-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives.
Bioorg. Med. Chem. Lett., 28, 2018
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6A1F
 | | Crystal structure of human DYRK1A in complex with compound 14 | | Descriptor: | 8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | | Authors: | Baba, D, Hanzawa, H. | | Deposit date: | 2018-06-07 | | Release date: | 2018-10-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives.
Bioorg. Med. Chem. Lett., 28, 2018
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2VC6
 | | Structure of MosA from S. meliloti with pyruvate bound | | Descriptor: | DIHYDRODIPICOLINATE SYNTHASE | | Authors: | Phenix, C.P, Nienaber, K.H, Tam, P.H, Delbaere, L.T.J, Palmer, D.R.J. | | Deposit date: | 2007-09-18 | | Release date: | 2008-06-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural, functional and calorimetric investigation of MosA, a dihydrodipicolinate synthase from Sinorhizobium meliloti l5-30, does not support involvement in rhizopine biosynthesis.
Chembiochem, 9, 2008
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7EF8
 | | Crystal structure of mouse MUTYH in complex with DNA containing AP site analogue:8-oxoG (Form I) | | Descriptor: | Adenine DNA glycosylase, DNA (5'-D(*TP*AP*GP*TP*CP*CP*CP*(3DR)P*GP*TP*CP*TP*C)-3'), DNA (5'-D(*TP*GP*AP*GP*AP*CP*(8OG)P*GP*GP*GP*AP*CP*T)-3'), ... | | Authors: | Nakamura, T, Nakabeppu, Y, Yamagata, Y. | | Deposit date: | 2021-03-21 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of the mammalian adenine DNA glycosylase MUTYH: insights into the base excision repair pathway and cancer.
Nucleic Acids Res., 49, 2021
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7EFA
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7E5V
 | | Crystal structure of Phm7 in complex with inhibitor | | Descriptor: | Diels-Alderase, GLYCEROL, SULFATE ION, ... | | Authors: | Fujiyama, K, Kato, N, Kinugasa, K, Hino, T, Takahashi, S, Nagano, S. | | Deposit date: | 2021-02-20 | | Release date: | 2021-06-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Molecular Basis for Two Stereoselective Diels-Alderases that Produce Decalin Skeletons*.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7E5U
 | | Crystal structure of Phm7 | | Descriptor: | CHLORIDE ION, Diels-Alderase, GLYCEROL, ... | | Authors: | Fujiyama, K, Kato, N, Kinugasa, K, Hino, T, Takahashi, S, Nagano, S. | | Deposit date: | 2021-02-20 | | Release date: | 2021-06-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Molecular Basis for Two Stereoselective Diels-Alderases that Produce Decalin Skeletons*.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7E5T
 | | Crystal structure of Fsa2 | | Descriptor: | Diels-Alderase fsa2, ETHANOL, PENTAETHYLENE GLYCOL, ... | | Authors: | Fujiyama, K, Kato, N, Kinugasa, K, Hino, T, Takahashi, S, Nagano, S. | | Deposit date: | 2021-02-20 | | Release date: | 2021-06-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.16977525 Å) | | Cite: | Molecular Basis for Two Stereoselective Diels-Alderases that Produce Decalin Skeletons*.
Angew.Chem.Int.Ed.Engl., 60, 2021
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1WU1
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3IIT
 | | Factor XA in complex with a cis-1,2-diaminocyclohexane derivative | | Descriptor: | 7-chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide, Activated factor Xa heavy chain, CALCIUM ION, ... | | Authors: | Suzuki, M. | | Deposit date: | 2009-08-03 | | Release date: | 2010-08-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, synthesis, and SAR of cis-1,2-diaminocyclohexane derivatives as potent factor Xa inhibitors. Part II: exploration of 6-6 fused rings as alternative S1 moieties.
Bioorg.Med.Chem., 17, 2009
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1UE2
 | | Crystal structure of d(GC38GAAAGCT) | | Descriptor: | 5'-D(*GP*(C38)P*GP*AP*AP*AP*GP*CP*T)-3', CHLORIDE ION, COBALT HEXAMMINE(III), ... | | Authors: | Sunami, T, Kondo, J, Hirao, I, Watanaba, K, Miura, K, Takenaka, A. | | Deposit date: | 2003-05-08 | | Release date: | 2004-01-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of d(GCGAAAGC) (hexagonal form): a base-intercalated duplex as a stable structure.
Acta Crystallogr.,Sect.D, 60, 2004
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4RO5
 | | Crystal structure of the SAT domain from the non-reducing fungal polyketide synthase CazM | | Descriptor: | GLYCEROL, SAT domain from CazM | | Authors: | Winter, J.M, Cascio, D, Sawaya, M.R, Tang, Y. | | Deposit date: | 2014-10-27 | | Release date: | 2015-09-09 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Biochemical and Structural Basis for Controlling Chemical Modularity in Fungal Polyketide Biosynthesis.
J.Am.Chem.Soc., 137, 2015
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