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3DX3
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BU of 3dx3 by Molmil
Golgi alpha-Mannosidase II in complex with Mannostatin analog (1R,2R,3S,4R,5R)-5-aminocyclopentane-1,2,3,4-tetraol
Descriptor: (1R,2R,3S,4R,5R)-5-aminocyclopentane-1,2,3,4-tetrol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-07-23
Release date:2009-07-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
3DX2
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BU of 3dx2 by Molmil
Golgi mannosidase II complex with MANNOSTATIN B
Descriptor: (1R,2R,3R,4S,5R)-4-amino-5-[(R)-methylsulfinyl]cyclopentane-1,2,3-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Kuntz, D.A, Zhong, W, Guo, J, Rose, D.R, Boons, G.-J.
Deposit date:2008-07-23
Release date:2009-07-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
5ELN
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BU of 5eln by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, LYSINE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-11-04
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc. Natl. Acad. Sci. U.S.A., 2019
5FMR
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BU of 5fmr by Molmil
crIFT52 N-terminal domain
Descriptor: INTRAFLAGELLAR TRANSPORT PROTEIN COMPONENT IFT52, SULFATE ION
Authors:Mourao, A, Vetter, M, Lorentzen, E.
Deposit date:2015-11-09
Release date:2016-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Intraflagellar Transport Proteins 172, 80, 57, 54, 38, and 20 Form a Stable Tubulin-Binding Ift-B2 Complex.
Embo J., 35, 2016
5G55
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BU of 5g55 by Molmil
3-Quinoline Carboxamides inhibitors of Pi3K
Descriptor: 6-cyano-4-[[(1R)-1-(4-methylphenyl)ethyl]amino]quinoline-3-carboxamide, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION
Authors:Edman, K, Phillips, C.
Deposit date:2016-05-20
Release date:2016-08-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of Novel 3-Quinoline Carboxamides as Potent, Selective and Orally Bioavailable Inhibitors of Ataxia Telangiectasia Mutated (Atm) Kinase.
J.Med.Chem., 59, 2016
4X1I
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BU of 4x1i by Molmil
Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications
Descriptor: 2-methyl-L-alanyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Parris, K.D.
Deposit date:2014-11-24
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
4X1Y
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BU of 4x1y by Molmil
Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Parris, K.D.
Deposit date:2014-11-25
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
5F9R
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BU of 5f9r by Molmil
Crystal structure of catalytically-active Streptococcus pyogenes CRISPR-Cas9 in complex with single-guided RNA and double-stranded DNA primed for target DNA cleavage
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, DNA (30-MER), DNA (5'-D(P*AP*TP*GP*AP*GP*AP*CP*GP*CP*TP*GP*GP*AP*GP*TP*AP*CP*AP*C)-3'), ...
Authors:Jiang, F, Doudna, J.A.
Deposit date:2015-12-10
Release date:2016-01-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structures of a CRISPR-Cas9 R-loop complex primed for DNA cleavage.
Science, 351, 2016
4YNY
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BU of 4yny by Molmil
Crystal structure of monoclonal anti-human podoplanin antibody NZ-1
Descriptor: Heavy chain of antigen binding fragment, Fab, Light chain of antigen binding fragment
Authors:Fujii, Y, Kitago, Y, Arimori, T, Takagi, J.
Deposit date:2015-03-11
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.584 Å)
Cite:Tailored placement of a turn-forming PA tag into the structured domain of a protein to probe its conformational state
J.Cell.Sci., 129, 2016
4YTC
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BU of 4ytc by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease
Descriptor: N~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
4YTH
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BU of 4yth by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases
Descriptor: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)-D-alaninamide, Tyrosine-protein kinase JAK2
Authors:Ledeboer, M.W, Zuccola, H.J.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
5FMS
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BU of 5fms by Molmil
mmIFT52 N-terminal domain
Descriptor: INTRAFLAGELLAR TRANSPORT PROTEIN 52 HOMOLOG
Authors:Mourao, A, Lorentzen, E.
Deposit date:2015-11-09
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.488 Å)
Cite:Intraflagellar Transport Proteins 172, 80, 57, 54, 38, and 20 Form a Stable Tubulin-Binding Ift-B2 Complex.
Embo J., 35, 2016
3EJU
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BU of 3eju by Molmil
Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog:(5S)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-swainsonine
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1-(4-tert-butylphenyl)-2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Shea, K, Rose, D.R.
Deposit date:2008-09-18
Release date:2009-10-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II.
Chembiochem, 11, 2010
5HGX
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BU of 5hgx by Molmil
Crystal Structure of Transketolase mutant - H261F from Pichia Stipitis
Descriptor: PENTAETHYLENE GLYCOL, Transketolase
Authors:Li, T.L, Hsu, L.J, Hsu, N.S.
Deposit date:2016-01-09
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Structural and biochemical interrogation on transketolase from Pichia stipitis for new functionality
Protein Eng. Des. Sel., 2016
5GPJ
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BU of 5gpj by Molmil
Crystal Structure of Proton-Pumping Pyrophosphatase
Descriptor: MAGNESIUM ION, PHOSPHATE ION, Pyrophosphate-energized vacuolar membrane proton pump
Authors:Li, K.M, Tsai, J.Y, Sun, Y.J.
Deposit date:2016-08-03
Release date:2016-12-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Membrane pyrophosphatases from Thermotoga maritima and Vigna radiata suggest a conserved coupling mechanism
Nat Commun, 7, 2016
5GXQ
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BU of 5gxq by Molmil
The crystal structure of the nucleosome containing H3.6
Descriptor: DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Taguchi, H, Xie, Y, Horikoshi, N, Kurumizaka, H.
Deposit date:2016-09-19
Release date:2017-04-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structure and Characterization of Novel Human Histone H3 Variants, H3.6, H3.7, and H3.8
Biochemistry, 56, 2017
3G86
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BU of 3g86 by Molmil
Hepatitis C virus polymerase NS5B (BK 1-570) with thiazine inhibitor
Descriptor: N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide, NICKEL (II) ION, RNA-directed RNA polymerase
Authors:Harris, S.F, Ghate, M.
Deposit date:2009-02-11
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Non-nucleoside inhibitors of HCV polymerase NS5B. Part 2: Synthesis and structure-activity relationships of benzothiazine-substituted quinolinediones
Bioorg.Med.Chem.Lett., 19, 2009
5F7T
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BU of 5f7t by Molmil
TRIM5 B-box2 and coiled-coil chimera
Descriptor: Tripartite motif-containing protein 5,Serine--tRNA ligase,Tripartite motif-containing protein 5, ZINC ION
Authors:Wagner, J.M, Doss, G, Pornillos, O.
Deposit date:2015-12-08
Release date:2016-06-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.292 Å)
Cite:Mechanism of B-box 2 domain-mediated higher-order assembly of the retroviral restriction factor TRIM5 alpha.
Elife, 5, 2016
5FBO
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BU of 5fbo by Molmil
BTK-inhibitor co-structure
Descriptor: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R},6~{S})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
Authors:Fischmann, T.O.
Deposit date:2015-12-14
Release date:2016-03-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.894 Å)
Cite:Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.
ACS Med Chem Lett, 7, 2016
3DDG
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BU of 3ddg by Molmil
GOLGI MANNOSIDASE II complex with (3R,4R,5R)-3,4-Dihydroxy-5-({[(1R)-2-hydroxy-1 phenylethyl]amino}methyl) methylpyrrolidin-2-one
Descriptor: (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-1-methylpyrrolidin-2-one, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Rose, D.R, Hoffman, D.
Deposit date:2008-06-05
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Functionalized pyrrolidine inhibitors of human type II alpha-mannosidases as anti-cancer agents: optimizing the fit to the active site
Bioorg.Med.Chem., 16, 2008
5HJE
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BU of 5hje by Molmil
Crystal Structure of Transketolase complex with sedoheptulose-7-phoaphate from Pichia Stipitis
Descriptor: CALCIUM ION, D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, THIAMINE DIPHOSPHATE, ...
Authors:Li, T.L, Hsu, L.J, Hsu, N.S.
Deposit date:2016-01-13
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural and biochemical interrogation on transketolase from Pichia stipitis for new functionality
Protein Eng. Des. Sel., 2016
5GSE
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BU of 5gse by Molmil
Crystal structure of unusual nucleosome
Descriptor: DNA (250-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Kato, D, Osakabe, A, Arimura, Y, Park, S.Y, Kurumizaka, H.
Deposit date:2016-08-16
Release date:2017-05-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Crystal structure of the overlapping dinucleosome composed of hexasome and octasome
Science, 356, 2017
3HBM
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BU of 3hbm by Molmil
Crystal Structure of PseG from Campylobacter jejuni
Descriptor: SULFATE ION, UDP-sugar hydrolase
Authors:Rangarajan, E.S, Proteau, A, Cygler, M, Matte, A, Sulea, T, Schoenhofen, I.C.
Deposit date:2009-05-04
Release date:2009-05-26
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional analysis of Campylobacter jejuni PseG: a udp-sugar hydrolase from the pseudaminic acid biosynthetic pathway.
J.Biol.Chem., 284, 2009
5H4J
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BU of 5h4j by Molmil
Crystal structure of Human dUTPase in complex with N-[(1R)-1-[3-(Cyclopentyloxy)-phenyl]-ethyl]-3-[(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methoxy]-1-propanesulfonamide
Descriptor: DIMETHYL SULFOXIDE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial, ...
Authors:Chong, K.T, Miyahara, S, Miyakoshi, H, Fukuoka, M.
Deposit date:2016-11-01
Release date:2017-11-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:TAS-114, a First-in-Class Dual dUTPase/DPD Inhibitor, Demonstrates Potential to Improve Therapeutic Efficacy of Fluoropyrimidine-Based Chemotherapy.
Mol. Cancer Ther., 17, 2018
5HGC
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BU of 5hgc by Molmil
A Serpin structure
Descriptor: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose, SULFATE ION, ...
Authors:Das, S, Vashchenko, G.V, Van Petegem, F.
Deposit date:2016-01-08
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:A Serpin structure
J.Biol.Chem., 2016

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