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5YAY
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Crystal structure of KANK1/KIF21A complex
Descriptor: KN motif and ankyrin repeat domains 1, Kinesin-like protein KIF21A
Authors:Wei, Z, Pan, W.
Deposit date:2017-09-02
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insights into ankyrin repeat-mediated recognition of the kinesin motor protein KIF21A by KANK1, a scaffold protein in focal adhesion.
J. Biol. Chem., 293, 2018
5YB6
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BU of 5yb6 by Molmil
L-Amino acid oxidase/monooxygenase from Pseudomonas sp. AIU 813 - L-lysine complex
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid oxidase/monooxygenase, ...
Authors:Im, D, Matsui, D, Arakawa, T, Isobe, K, Asano, Y, Fushinobu, S.
Deposit date:2017-09-03
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ligand complex structures of l-amino acid oxidase/monooxygenase from
FEBS Open Bio, 8, 2018
5YBW
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BU of 5ybw by Molmil
Crystal structure of pyridoxal 5'-phosphate-dependent aspartate racemase
Descriptor: Aspartate racemase
Authors:Mizobuchi, T, Nonaka, R, Yoshimura, M, Abe, K, Takahashi, S, Kera, Y, Goto, M.
Deposit date:2017-09-05
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a pyridoxal 5'-phosphate-dependent aspartate racemase derived from the bivalve mollusc Scapharca broughtonii
Acta Crystallogr F Struct Biol Commun, 73, 2017
6N5Q
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BU of 6n5q by Molmil
Structure of Human pir-miRNA-378a Apical Loop and One-base-pair Fused to the YdaO Riboswitch Scaffold
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Shoffner, G.M, Peng, Z, Guo, F.
Deposit date:2018-11-22
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.946 Å)
Cite:Three-dimensional structures of pri-miRNA apical junctions and loops revealed by scaffold-directed crystallography
To Be Published
6N6U
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BU of 6n6u by Molmil
OXA-23 mutant F110A/M221A low pH form imipenem complex
Descriptor: Beta-lactamase, Imipenem
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2018-11-27
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
5YEA
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BU of 5yea by Molmil
The crystal structure of Lp-PLA2 in complex with a novel inhibitor
Descriptor: 4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3-cyano-phenyl]sulfamoyl]benzoic acid, Platelet-activating factor acetylhydrolase, SULFATE ION
Authors:Liu, Q.F, Xu, Y.C.
Deposit date:2017-09-15
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.805 Å)
Cite:Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.
J. Med. Chem., 60, 2017
5YFC
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BU of 5yfc by Molmil
Crystal structure of a new DPP III family member
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Dipeptidyl peptidase 3, ...
Authors:Xu, T, Liu, J.
Deposit date:2017-09-20
Release date:2018-01-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structures of Aflatoxin-oxidase from Armillariella tabescens reveal a dual activity enzyme.
Biochem. Biophys. Res. Commun., 494, 2017
5YG3
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BU of 5yg3 by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and S-GS834
Descriptor: (3~{S})-6'-azanyl-7-fluoranyl-2,2,3'-trimethyl-5-pyridin-4-yl-spiro[1~{H}-indene-3,4'-2~{H}-pyrano[2,3-c]pyrazole]-5'-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
Deposit date:2017-09-22
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Potent Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT) Featuring a Spirocyclic Scaffold
ChemMedChem, 13, 2018
5YF7
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BU of 5yf7 by Molmil
Crystals structure of Classical swine fever virus NS5B (residues 1-672)
Descriptor: RdRp catalytic
Authors:Liu, W, Gong, P.
Deposit date:2017-09-20
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:A unique intra-molecular fidelity-modulating mechanism identified in a viral RNA-dependent RNA polymerase.
Nucleic Acids Res., 46, 2018
5YFJ
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BU of 5yfj by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase from Pyrococcus horikoshii OT3 in complex with ribulose-1,5-bisphosphate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Gogoi, P, Kanaujia, S.P.
Deposit date:2017-09-21
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
5YG1
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BU of 5yg1 by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS704
Descriptor: 3-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
Deposit date:2017-09-22
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:to be published
to be published
5YGJ
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BU of 5ygj by Molmil
Crystal structure of a synthase from Streptomyces sp. CL190
Descriptor: Cyclolavandulyl diphosphate synthase
Authors:Gao, J, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-09-23
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.648 Å)
Cite:Catalytic Role of Conserved Asparagine, Glutamine, Serine, and Tyrosine Residues in Isoprenoid Biosynthesis Enzymes.
Acs Catalysis, 8, 2018
5YL6
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BU of 5yl6 by Molmil
Crystal structure of Ofd2 in complex with 2OG from Schizosaccharomyces pombe
Descriptor: 2-OXOGLUTARIC ACID, ACETATE ION, FE (III) ION, ...
Authors:Wang, J, Gao, Y.X, Guo, G.R, Zhu, Z.L, Teng, M.K, Niu, L.W.
Deposit date:2017-10-17
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Ofd2 in complex with 2OG from Schizosaccharomyces pombe
to be published
5YJ6
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BU of 5yj6 by Molmil
The exoglucanase CelS from Clostridium thermocellum
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, Dockerin type I repeat-containing protein
Authors:Liu, Y.J, Liu, S.Y, Dong, S, Li, R.M, Feng, Y.G, Cui, Q.
Deposit date:2017-10-09
Release date:2018-01-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Determination of the native features of the exoglucanase Cel48S from Clostridium thermocellum
Biotechnol Biofuels, 11, 2018
5YLB
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BU of 5ylb by Molmil
Crystal structure of Ofd2 from Schizosaccharomyces pombe at 1.80 A
Descriptor: FE (III) ION, Uncharacterized protein P8A3.02c
Authors:Wang, J, Gao, Y.X, Guo, G.R, Zhu, Z.L, Teng, M.K, Niu, L.W.
Deposit date:2017-10-17
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structure of Ofd2 from Schizosaccharomyces pombe at 1.80 A
to be published
6OPE
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BU of 6ope by Molmil
Crystal structure of tRNA^ Ala(GGC) U32-A38 bound to near-cognate 70S A site
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Nguyen, H.A, Sunita, S, Dunham, C.M.
Deposit date:2019-04-24
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Disruption of evolutionarily correlated tRNA elements impairs accurate decoding.
Proc.Natl.Acad.Sci.USA, 117, 2020
6OF6
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BU of 6of6 by Molmil
Crystal structure of tRNA^ Ala(GGC) bound to cognate 70S A-site
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Nguyen, H.A, Sunita, S, Dunham, C.M.
Deposit date:2019-03-28
Release date:2020-06-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Disruption of evolutionarily correlated tRNA elements impairs accurate decoding.
Proc.Natl.Acad.Sci.USA, 117, 2020
5YN3
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BU of 5yn3 by Molmil
Crystal structure of xylose isomerase from Piromyces sp. E2
Descriptor: GLYCEROL, MANGANESE (II) ION, Xylose isomerase
Authors:Son, H.-F, Kim, K.-J.
Deposit date:2017-10-24
Release date:2018-05-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure and Biochemical Characterization of Xylose Isomerase fromPiromycessp. E2.
J. Microbiol. Biotechnol., 28, 2018
5YNX
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BU of 5ynx by Molmil
Structure of house dust mite allergen Der f 21 in PEG400
Descriptor: Allergen Der f 21, BETA-MERCAPTOETHANOL, GLYCEROL, ...
Authors:Ng, C.L, Chew, F.T, Pang, S.L, Ho, K.L, Teh, A.H, Waterman, J, Rambo, R, Mathavan, I, Beis, K, Say, Y.H.
Deposit date:2017-10-25
Release date:2019-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Crystal structure and epitope analysis of house dust mite allergen Der f 21.
Sci Rep, 9, 2019
5YOI
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BU of 5yoi by Molmil
Mycobacterium Tuberculosis Methionine aminopeptidase type 1c (C105T mutant) in complex with Methionine
Descriptor: COBALT (II) ION, GLYCEROL, METHIONINE, ...
Authors:Sandeep, C.B, Addlagatta, A.
Deposit date:2017-10-27
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Mycobacterium Tuberculosis Methionine aminopeptidase type 1c (C105T mutant) in complex with Methionine
To Be Published
6O67
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BU of 6o67 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Mitoglitazone
Descriptor: Mitoglitazone, Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-03-05
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6O68
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BU of 6o68 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Ciglitazone
Descriptor: Ciglitazone, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-03-05
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6O8G
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BU of 6o8g by Molmil
Crystal structure of UvrB bound to fully duplex DNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*CP*GP*AP*TP*GP*GP*AP*GP*A)-3'), ...
Authors:Lee, S.-J, Sung, R.-J, Verdine, G.L.
Deposit date:2019-03-10
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Mechanism of DNA Lesion Homing and Recognition by the Uvr Nucleotide Excision Repair System.
Res, 2019, 2019
5Y5K
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BU of 5y5k by Molmil
Time-resolved SFX structure of cytochrome P450nor : 20 ms after photo-irradiation of caged NO in the absence of NADH (NO-bound state), light data
Descriptor: NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M.
Deposit date:2017-08-09
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
6O8H
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BU of 6o8h by Molmil
Crystal structure of UvrB mutant bound to duplex DNA
Descriptor: CHLORIDE ION, DNA (5'-D(P*AP*GP*CP*GP*CP*GP*AP*TP*GP*GP*AP*GP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*CP*GP*CP*GP*CP*TP*AP*CP*C)-3'), ...
Authors:Lee, S.-J, Verdine, G.L.
Deposit date:2019-03-10
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Mechanism of DNA Lesion Homing and Recognition by the Uvr Nucleotide Excision Repair System.
Res, 2019, 2019

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