8DA8
 
 | | Coevolved affibody-Z domain pair LL2.c1 | | Descriptor: | Affibody LL2.FIIK, GLYCEROL, Immunoglobulin G-binding protein A | | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
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4R82
 | | Streptomyces globisporus C-1027 NADH:FAD oxidoreductase SgcE6 in complex with NAD and FAD fragments | | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Tan, K, Bigelow, L, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2014-08-29 | | Release date: | 2014-10-01 | | Last modified: | 2016-11-02 | | Method: | X-RAY DIFFRACTION (1.659 Å) | | Cite: | Crystal Structures of SgcE6 and SgcC, the Two-Component Monooxygenase That Catalyzes Hydroxylation of a Carrier Protein-Tethered Substrate during the Biosynthesis of the Enediyne Antitumor Antibiotic C-1027 in Streptomyces globisporus.
Biochemistry, 55, 2016
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8DAC
 | | Coevolved affibody-Z domain pair LL2.c22 | | Descriptor: | Affibody LL2.FILV, GLYCEROL, Immunoglobulin G-binding protein A | | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
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8B2I
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8DAA
 | | Coevolved affibody-Z domain pair LL2.c7 | | Descriptor: | Affibody LL2.FIVK, Immunoglobulin G-binding protein A, MALONATE ION | | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
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8DAB
 | | Coevolved affibody-Z domain pair LL2.c17 | | Descriptor: | Affibody LL2.IVVY, Immunoglobulin G-binding protein A | | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.134 Å) | | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
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6CFW
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5U0M
 | | Fatty aldehyde dehydrogenase from Marinobacter aquaeolei VT8 and cofactor complex | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, N-succinylglutamate 5-semialdehyde dehydrogenase, ... | | Authors: | Shi, K, Mulliner, K, Barney, B.M, Aihara, H. | | Deposit date: | 2016-11-24 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.075 Å) | | Cite: | Five Fatty Aldehyde Dehydrogenase Enzymes from Marinobacter and Acinetobacter spp. and Structural Insights into the Aldehyde Binding Pocket.
Appl. Environ. Microbiol., 83, 2017
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8J8G
 | | Monkeypox virus DNA replication holoenzyme F8, A22 and E4 in complex with a DNA duplex and cidofovir diphosphate | | Descriptor: | CALCIUM ION, DNA (5'-D(P*AP*GP*CP*TP*GP*CP*TP*AP*TP*GP*AP*GP*AP*TP*TP*AP*AP*GP*TP*TP*AP*T)-3'), DNA (5'-D(P*GP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*GP*AP*TP*AP*AP*CP*TP*TP*AP*AP*TP*CP*TP*CP*AP*CP*AP*TP*AP*GP*CP*AP*GP*CP*T)-3'), ... | | Authors: | Xu, Y, Wu, Y, Wu, X, Zhang, Y, Yang, Y, Li, D, Yang, B, Gao, K, Zhang, Z, Dong, C. | | Deposit date: | 2023-05-01 | | Release date: | 2024-05-08 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Structural basis of human mpox viral DNA replication inhibition by brincidofovir and cidofovir.
Int.J.Biol.Macromol., 270, 2024
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8AUP
 | | Structure of hARG1 with a novel inhibitor. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, ... | | Authors: | Napiorkowska-Gromadzka, A, Nowak, E, Nowotny, M. | | Deposit date: | 2022-08-25 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Arginase 1/2 Inhibitor OATD-02: From Discovery to First-in-man Setup in Cancer Immunotherapy.
Mol.Cancer Ther., 22, 2023
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8AFU
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3WTI
 | | Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Clothianidin | | Descriptor: | 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine, Acetylcholine-binding protein | | Authors: | Okajima, T, Ihara, M, Yamashita, A, Oda, T, Matsuda, K. | | Deposit date: | 2014-04-11 | | Release date: | 2015-02-04 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Studies on an acetylcholine binding protein identify a basic residue in loop G on the beta 1 strand as a new structural determinant of neonicotinoid actions
Mol.Pharmacol., 86, 2014
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5MNV
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5U8U
 | | Dihydrolipoamide dehydrogenase (LpdG) from Pseudomonas aeruginosa | | Descriptor: | DIMETHYL SULFOXIDE, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Glasser, N.R, Wang, B.X, Hoy, J.A, Newman, D.K. | | Deposit date: | 2016-12-15 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The Pyruvate and alpha-Ketoglutarate Dehydrogenase Complexes of Pseudomonas aeruginosa Catalyze Pyocyanin and Phenazine-1-carboxylic Acid Reduction via the Subunit Dihydrolipoamide Dehydrogenase.
J. Biol. Chem., 292, 2017
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4RG4
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3W9S
 | | Crystal Structure Analysis of the N-terminal Receiver domain of Response Regulator PmrA | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, OmpR family response regulator in two-component regulatory system with BasS | | Authors: | Chen, C, Luo, S. | | Deposit date: | 2013-04-15 | | Release date: | 2013-07-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis of a Physical Blockage Mechanism for the Interaction of Response Regulator PmrA with Connector Protein PmrD from Klebsiella Pneumoniae
J.Biol.Chem., 288, 2013
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6C83
 | | Structure of Aurora A (122-403) bound to inhibitory Monobody Mb2 and AMPPCP | | Descriptor: | Aurora kinase A, Mb2 Monobody, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Hoemberger, M, Kutter, S, Zorba, A, Nguyen, V, Shohei, A, Shohei, K, Kern, D. | | Deposit date: | 2018-01-24 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Allosteric modulation of a human protein kinase with monobodies.
Proc.Natl.Acad.Sci.USA, 116, 2019
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3WAM
 | | Crystal structure of human LC3C_8-125 | | Descriptor: | CITRIC ACID, Microtubule-associated proteins 1A/1B light chain 3C | | Authors: | Suzuki, H, Tabata, K, Morita, E, Kawasaki, M, Kato, R, Dobson, R.C.J, Yoshimori, T, Wakatsuki, S. | | Deposit date: | 2013-05-06 | | Release date: | 2013-12-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis of the autophagy-related LC3/Atg13 LIR complex: recognition and interaction mechanism.
Structure, 22, 2014
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1HK5
 | | HUMAN SERUM ALBUMIN MUTANT R218H COMPLEXED WITH THYROXINE (3,3',5,5'-TETRAIODO-L-THYRONINE) and myristic acid (tetradecanoic acid) | | Descriptor: | 3,5,3',5'-TETRAIODO-L-THYRONINE, MYRISTIC ACID, SERUM ALBUMIN | | Authors: | Petitpas, I, Petersen, C.E, Ha, C.E, Bhattacharya, A.A, Zunszain, P.A, Ghuman, J, Bhagavan, N.V, Curry, S. | | Deposit date: | 2003-03-05 | | Release date: | 2003-05-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis of Albumin-Thyroxine Interactions and Familial Dysalbuminemic Hyperthyroxinemia
Proc.Natl.Acad.Sci.USA, 100, 2003
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3OMU
 | | Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of a thienopyrimidine derivative | | Descriptor: | 2-amino-4-{2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide, Heat shock protein 83 | | Authors: | Wernimont, A.K, Hutchinson, A, Sullivan, H, Weadge, J, Cossar, D, Li, Y, Kozieradzki, I, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P.G, Fairlamb, A.H, MacKenzie, C, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-08-27 | | Release date: | 2010-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design.
PLoS Negl Trop Dis, 7, 2013
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1HK3
 | | Human serum albumin mutant r218p complexed with thyroxine (3,3',5,5'-tetraiodo-l-thyronine) | | Descriptor: | 3,5,3',5'-TETRAIODO-L-THYRONINE, SERUM ALBUMIN | | Authors: | Petitpas, I, Petersen, C.E, Ha, C.E, Bhattacharya, A.A, Zunszain, P.A, Ghuman, J, Bhagavan, N.V, Curry, S. | | Deposit date: | 2003-03-05 | | Release date: | 2003-05-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis of Albumin-Thyroxine Interactions and Familial Dysalbuminemic Hyperthyroxinemia
Proc.Natl.Acad.Sci.USA, 100, 2003
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1HK4
 | | HUMAN SERUM ALBUMIN COMPLEXED WITH THYROXINE (3,3',5,5'-TETRAIODO-L-THYRONINE) and myristic acid (tetradecanoic acid) | | Descriptor: | 3,5,3',5'-TETRAIODO-L-THYRONINE, MYRISTIC ACID, SERUM ALBUMIN | | Authors: | Petitpas, I, Petersen, C.E, Ha, C.E, Bhattacharya, A.A, Zunszain, P.A, Ghuman, J, Bhagavan, N.V, Curry, S. | | Deposit date: | 2003-03-05 | | Release date: | 2003-05-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of Albumin-Thyroxine Interactions and Familial Dysalbuminemic Hyperthyroxinemia
Proc.Natl.Acad.Sci.USA, 100, 2003
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5MSC
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1HK2
 | | HUMAN SERUM ALBUMIN MUTANT R218H COMPLEXED WITH THYROXINE (3,3',5,5'-TETRAIODO-L-THYRONINE) | | Descriptor: | 3,5,3',5'-TETRAIODO-L-THYRONINE, SERUM ALBUMIN | | Authors: | Petitpas, I, Petersen, C.E, Ha, C.E, Bhattacharya, A.A, Zunszain, P.A, Ghuman, J, Bhagavan, N.V, Curry, S. | | Deposit date: | 2003-03-05 | | Release date: | 2003-05-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis of Albumin-Thyroxine Interactions and Familial Dysalbuminemic Hyperthyroxinemia
Proc.Natl.Acad.Sci.USA, 100, 2003
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1HK1
 | | HUMAN SERUM ALBUMIN COMPLEXED WITH THYROXINE (3,3',5,5'-TETRAIODO-L-THYRONINE) | | Descriptor: | 3,5,3',5'-TETRAIODO-L-THYRONINE, SERUM ALBUMIN | | Authors: | Petitpas, I, Petersen, C.E, Ha, C.E, Bhattacharya, A.A, Zunszain, P.A, Ghuman, J, Bhagavan, N.V, Curry, S. | | Deposit date: | 2003-03-05 | | Release date: | 2003-05-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural Basis of Albumin-Thyroxine Interactions and Familial Dysalbuminemic Hyperthyroxinemia
Proc.Natl.Acad.Sci.USA, 100, 2003
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