5WIV
 
 | | Structure of the sodium-bound human D4 Dopamine receptor in complex with Nemonapride | | Descriptor: | D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L. | | Deposit date: | 2017-07-20 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.143 Å) | | Cite: | D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.
Science, 358, 2017
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7ICJ
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8U0P
 | | Synaptic complex of human DNA polymerase Lambda DL variant engaged on a noncomplementary DNA double-strand break | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), ... | | Authors: | Kaminski, A.M, Pedersen, L.C, Bebenek, K, Kunkel, T.A, Chiruvella, K.K, Ramsden, D.A. | | Deposit date: | 2023-08-29 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | DNA polymerase lambda Loop1 variant yields unexpected gain-of-function capabilities in nonhomologous end-joining.
DNA Repair (Amst), 136, 2024
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5T9C
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5WQP
 | | Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition II) | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICOTINAMIDE, PHOSPHATE ION, ... | | Authors: | Li, S, Wang, Y, Bartlam, M. | | Deposit date: | 2016-11-27 | | Release date: | 2017-10-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
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6Y5T
 | | Crystal structure of savinase at room temperature | | Descriptor: | CALCIUM ION, SODIUM ION, Subtilisin Savinase | | Authors: | Wu, S, Moroz, O, Turkenburg, J, Nielsen, J.E, Wilson, K.S, Teilum, K. | | Deposit date: | 2020-02-25 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Conformational heterogeneity of Savinase from NMR, HDX-MS and X-ray diffraction analysis.
Peerj, 8, 2020
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1K21
 | | HUMAN THROMBIN-INHIBITOR COMPLEX | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, Prothrombin, ... | | Authors: | Stubbs, M.T, Musil, D. | | Deposit date: | 2001-09-26 | | Release date: | 2002-05-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
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6YEO
 | | Crystal structure of AmpC from E. coli with cyclic boronate 2 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Lang, P.A, Schofield, C.J, Brem, J. | | Deposit date: | 2020-03-25 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.037 Å) | | Cite: | Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli .
Biomolecules, 10, 2020
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5YO1
 | | Structure of ePepN E298A mutant in complex with Puromycin | | Descriptor: | Aminopeptidase N, GLYCEROL, PUROMYCIN, ... | | Authors: | Ganji, R.J, Reddi, R, Marapaka, A.K, Addlagatta, A. | | Deposit date: | 2017-10-26 | | Release date: | 2018-11-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Puromycin, a selective inhibitor of PSA acts as a substrate for other M1 family aminopeptidases: Biochemical and structural basis
Int.J.Biol.Macromol., 165, 2020
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5YR6
 | | Human methionine aminopeptidase type 1b (F309L mutant) in complex with TNP470 | | Descriptor: | (1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate, COBALT (II) ION, Methionine aminopeptidase 1, ... | | Authors: | Pillalamarri, V, Arya, T, Addlagatta, A. | | Deposit date: | 2017-11-08 | | Release date: | 2018-11-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of natural product ovalicin sensitive type 1 methionine aminopeptidases: molecular and structural basis.
Biochem. J., 476, 2019
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6XWN
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5TWR
 | | Pre-catalytic ternary complex of human Polymerase Mu (H329A) mutant with incoming nonhydrolyzable UMPNPP | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, ... | | Authors: | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | | Deposit date: | 2016-11-14 | | Release date: | 2017-07-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu.
Nucleic Acids Res., 45, 2017
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6XXQ
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6XYD
 | | Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, SODIUM ION, ... | | Authors: | Roske, Y, Heinemann, U, Andrea, E.D. | | Deposit date: | 2020-01-30 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi.
J.Struct.Biol., 211, 2020
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5TYY
 | | DNA Polymerase Mu Product Complex, Mn2+ (60 min) | | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Jamsen, J.A, Wilson, S.H. | | Deposit date: | 2016-11-21 | | Release date: | 2017-08-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.931 Å) | | Cite: | Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
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6XWQ
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5Y8Z
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | | Deposit date: | 2017-08-22 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
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5YAL
 | | Ferulic acid esterase from Streptomyces cinnamoneus at 1.5 A resolution | | Descriptor: | ACETATE ION, Esterase, GLYCEROL, ... | | Authors: | Tamura, H, Uraji, M, Mizohata, E, Ogawa, K, Inoue, T, Hatanaka, T. | | Deposit date: | 2017-09-01 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Loop of Streptomyces Feruloyl Esterase Plays an Important Role in the Enzyme's Catalyzing the Release of Ferulic Acid from Biomass.
Appl. Environ. Microbiol., 84, 2018
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7NAM
 | | LRP6_E1 in complex with Lr-EET-3.5 | | Descriptor: | Low-density lipoprotein receptor-related protein 6, SODIUM ION, Trypsin inhibitor 2, ... | | Authors: | Hansen, S, Hannoush, R.N. | | Deposit date: | 2021-06-21 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Directed evolution identifies high-affinity cystine-knot peptide agonists and antagonists of Wnt/ beta-catenin signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6XBG
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW246 | | Descriptor: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-06-05 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
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5YDD
 | | Crystal structure of C-terminal domain of Rv1828 from Mycobacterium tuberculosis | | Descriptor: | (6R,8S,9S)-8-(hydroxymethyl)-6,11,11-tris(oxidanyl)-9-propyl-dodecanoic acid, GLYCEROL, SODIUM ION, ... | | Authors: | Singh, S, Karthiekeyan, S. | | Deposit date: | 2017-09-12 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Characteristics of the essential pathogenicity factor Rv1828, a MerR family transcription regulator from Mycobacterium tuberculosis.
FEBS J., 285, 2018
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5UF2
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3WI9
 | | Crystal structure of copper nitrite reductase from Geobacillus kaustophilus | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, COPPER (II) ION, ... | | Authors: | Fukuda, Y, Nojiri, M. | | Deposit date: | 2013-09-09 | | Release date: | 2014-07-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural and functional characterization of the Geobacillus copper nitrite reductase: involvement of the unique N-terminal region in the interprotein electron transfer with its redox partner
Biochim.Biophys.Acta, 1837, 2014
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3WL2
 | | Monoclinic Lysozyme at 0.96 A resolution | | Descriptor: | 1,2-ETHANEDIOL, Lysozyme C, NITRATE ION, ... | | Authors: | Matsumoto, T, Yamano, A, Hasegawa, T, Maeyama, M. | | Deposit date: | 2013-11-06 | | Release date: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (0.96 Å) | | Cite: | Evaluation of Rigaku XtaLAB P200
To be Published
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5YKY
 | | Crystal Structure of Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked with 10 mM Rose Bengal and 10mM H2PtCl6 | | Descriptor: | CHLORIDE ION, Lysozyme C, PLATINUM (II) ION, ... | | Authors: | Tabe, H, Takahashi, H, Shimoi, T, Abe, S, Ueno, T, Yamada, Y. | | Deposit date: | 2017-10-16 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Photocatalytic hydrogen evolution systems constructed in cross-linked porous protein crystals
Appl Catal B, 237, 2018
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