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3GAX
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BU of 3gax by Molmil
Crystal structure of monomeric human cystatin C stabilized against aggregation
Descriptor: Cystatin-C
Authors:Kolodziejczyk, R, Michalska, K, Hernandez-Santoyo, A, Wahlbom, M, Grubb, A, Jaskolski, M.
Deposit date:2009-02-18
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human cystatin C stabilized against amyloid formation.
Febs J., 277, 2010
4MY0
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BU of 4my0 by Molmil
Crystal Structure of GCN5-related N-acetyltransferase from Kribbella flavida
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL COENZYME *A, GCN5-related N-acetyltransferase, ...
Authors:Kim, Y, Mack, J, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2013-09-26
Release date:2013-11-06
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Crystal Structure of GCN5-related N-acetyltransferase from Kribbella flavida
To be Published
2WRS
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BU of 2wrs by Molmil
Crystal Structure of the Mono-Zinc Metallo-beta-lactamase VIM-4 from Pseudomonas aeruginosa
Descriptor: BETA-LACTAMASE VIM-4, CITRATE ANION, CITRIC ACID, ...
Authors:Lassaux, P, Hamel, M, Gulea, M, Delbruck, H, Traore, D.A.K, Mercuri, P.S, Horsfall, L, Dehareng, D, Gaumont, A.-C, Frere, J.-M, Ferrer, J.-L, Hoffmann, K, Galleni, M, Bebrone, C.
Deposit date:2009-09-02
Release date:2010-06-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Mercaptophosphonate Compounds as Broad-Spectrum Inhibitors of the Metallo-Beta-Lactamases.
J.Med.Chem., 53, 2010
7RAB
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BU of 7rab by Molmil
Crystal structure of a dodecameric multicopper oxidase from M. hydrothermalis in a cubic lattice
Descriptor: COPPER (II) ION, MAGNESIUM ION, multicopper oxidase
Authors:Georgiadis, M.M.
Deposit date:2021-06-30
Release date:2021-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structures of a dodecameric multicopper oxidase from Marinithermus hydrothermalis.
Acta Crystallogr D Struct Biol, 77, 2021
7R75
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BU of 7r75 by Molmil
Structure of human SHP2 in complex with compound 16
Descriptor: 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, Tyrosine-protein phosphatase non-receptor type 11
Authors:Leonard, P.G, Cross, J.
Deposit date:2021-06-24
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
3GBU
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BU of 3gbu by Molmil
Crystal structure of an uncharacterized sugar kinase PH1459 from Pyrococcus horikoshii in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Uncharacterized sugar kinase PH1459
Authors:Eswaramoorthy, S, Kumar, G, Zhang, Z, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-02-20
Release date:2009-03-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of an uncharacterized sugar kinase PH1459 from Pyrococcus horikoshii in complex with ATP
To be Published
7R7D
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BU of 7r7d by Molmil
Structure of human SHP2 in complex with compound 22
Descriptor: 4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine, TETRAETHYLENE GLYCOL, Tyrosine-protein phosphatase non-receptor type 11
Authors:Leonard, P.G, Cross, J.
Deposit date:2021-06-24
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
4N4E
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BU of 4n4e by Molmil
Thermolysin in complex with UBTLN58
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Krimmer, S.G, Heine, A, Klebe, G.
Deposit date:2013-10-08
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Methyl, Ethyl, Propyl, Butyl: Futile But Not for Water, as the Correlation of Structure and Thermodynamic Signature Shows in a Congeneric Series of Thermolysin Inhibitors.
Chemmedchem, 4, 2014
7LHR
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BU of 7lhr by Molmil
Crystal structure of adenosine-5'-phosphosulfate reductase from Mycobacterium tuberculosis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, IRON/SULFUR CLUSTER, Phosphoadenosine phosphosulfate reductase
Authors:Feliciano, P.R, Drennan, C.L.
Deposit date:2021-01-26
Release date:2021-07-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Crystal Structure of the [4Fe-4S] Cluster-Containing Adenosine-5'-phosphosulfate Reductase from Mycobacterium tuberculosis .
Acs Omega, 6, 2021
2WS7
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BU of 2ws7 by Molmil
Semi-synthetic analogue of human insulin ProB26-DTI
Descriptor: CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ...
Authors:Brzozowski, A.M, Jiracek, J, Zakova, L, Antolikova, E, Watson, C.J, Turkenburg, J.P, Dodson, G.G.
Deposit date:2009-09-03
Release date:2010-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Implications for the Active Form of Human Insulin Based on the Structural Convergence of Highly Active Hormone Analogues.
Proc.Natl.Acad.Sci.USA, 107, 2010
7LHU
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BU of 7lhu by Molmil
Crystal structure of adenosine-5'-phosphosulfate reductase from Mycobacterium tuberculosis in a complex with product AMP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, IRON/SULFUR CLUSTER, ...
Authors:Feliciano, P.R, Drennan, C.L.
Deposit date:2021-01-26
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Crystal Structure of the [4Fe-4S] Cluster-Containing Adenosine-5'-phosphosulfate Reductase from Mycobacterium tuberculosis .
Acs Omega, 6, 2021
8UT1
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BU of 8ut1 by Molmil
Alpha7-nicotinic acetylcholine receptor bound to epibatidine
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Burke, S.M, Hibbs, R.E, Noviello, C.M.
Deposit date:2023-10-30
Release date:2024-02-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
8V82
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BU of 8v82 by Molmil
Alpha7-nicotinic acetylcholine receptor bound to epibatidine and PNU-120596
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Burke, S.M, Noviello, C.M, Hibbs, R.E.
Deposit date:2023-12-04
Release date:2024-02-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
4MZU
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BU of 4mzu by Molmil
Crystal structure of FdtD, a bifunctional ketoisomerase/N-acetyltransferase from Shewanella denitrificans
Descriptor: COENZYME A, MAGNESIUM ION, THYMIDINE-5'-DIPHOSPHATE, ...
Authors:Chantigian, D.P, Thoden, J.B, Holden, H.M.
Deposit date:2013-09-30
Release date:2013-10-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Biochemical Characterization of a Bifunctional Ketoisomerase/N-Acetyltransferase from Shewanella denitrificans.
Biochemistry, 52, 2013
8V8D
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BU of 8v8d by Molmil
Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596 asymmetric state 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Burke, S.M, Noviello, C.M, Hibbs, R.E.
Deposit date:2023-12-05
Release date:2024-02-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
5CYS
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BU of 5cys by Molmil
Structure of the enzyme-product complex resulting from TDG action on a GcaC mismatch
Descriptor: ACETIC ACID, DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase
Authors:Pozharski, E, Malik, S.S, Drohat, A.C.
Deposit date:2015-07-30
Release date:2015-09-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Characterizing the enzyme-product complexes of thymine DNA glycosylase using crystallography and NMR
Nucleic Acids Res., 2015
8V86
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BU of 8v86 by Molmil
Alpha7-nicotinic acetylcholine receptor bound to GAT107
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ...
Authors:Burke, S.M, Noviello, C.M, Hibbs, R.E.
Deposit date:2023-12-04
Release date:2024-02-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.47 Å)
Cite:Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
7R7L
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BU of 7r7l by Molmil
Structure of human SHP2 in complex with compound 30
Descriptor: 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3H)-one, Tyrosine-protein phosphatase non-receptor type 11
Authors:Leonard, P.G, Cross, J.
Deposit date:2021-06-24
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
3BSO
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BU of 3bso by Molmil
Norwalk Virus polymerase bound to cytidine 5'-triphosphate and primer-template RNA
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, GLYCEROL, MANGANESE (II) ION, ...
Authors:Zamyatkin, D.F, Ng, K.K.S.
Deposit date:2007-12-26
Release date:2008-01-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural insights into mechanisms of catalysis and inhibition in norwalk virus polymerase.
J.Biol.Chem., 283, 2008
4IGT
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BU of 4igt by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the agonist ZA302 at 1.24A resolution
Descriptor: (4R)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-L-glutamic acid, GLYCEROL, Glutamate receptor 2, ...
Authors:Larsen, A.P, Venskutonyte, R, Gajhede, M, Kastrup, J.S, Frydenvang, K.
Deposit date:2012-12-18
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Chemoenzymatic synthesis of new 2,4-syn-functionalized (S)-glutamate analogues and structure-activity relationship studies at ionotropic glutamate receptors and excitatory amino acid transporters.
J.Med.Chem., 56, 2013
7LTM
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BU of 7ltm by Molmil
Hum8 capsid
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Capsid protein
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2021-02-19
Release date:2021-07-07
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite:Receptor Switching in Newly Evolved Adeno-associated Viruses.
J.Virol., 95, 2021
7RP0
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BU of 7rp0 by Molmil
Structural Snapshots of Intermediates in the Gating of a K+ Channel
Descriptor: DIACYL GLYCEROL, KcsA Fab chain A, KcsA Fab chain B, ...
Authors:Reddi, R, Matulef, K, Riederer, E.A, Valiyaveetil, F.I.
Deposit date:2021-08-02
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structures of Gating Intermediates in a K + channell.
J.Mol.Biol., 433, 2021
7R7I
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BU of 7r7i by Molmil
Structure of human SHP2 in complex with compound 27
Descriptor: Tyrosine-protein phosphatase non-receptor type 11, [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
Authors:Leonard, P.G, Cross, J.
Deposit date:2021-06-24
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
5ENZ
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BU of 5enz by Molmil
S. aureus MnaA-UDP co-structure
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, TETRAETHYLENE GLYCOL, ...
Authors:Fischmann, T.O.
Deposit date:2015-11-09
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Chemical Genetic Analysis and Functional Characterization of Staphylococcal Wall Teichoic Acid 2-Epimerases Reveals Unconventional Antibiotic Drug Targets.
Plos Pathog., 12, 2016
5D0U
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BU of 5d0u by Molmil
Crystal structure of the RNA-helicase Prp43 from Chaetomium thermophilum bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Tauchert, M.J, Ficner, R.
Deposit date:2015-08-03
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.919 Å)
Cite:Structural and functional analysis of the RNA helicase Prp43 from the thermophilic eukaryote Chaetomium thermophilum.
Acta Crystallogr.,Sect.F, 72, 2016

223790

数据于2024-08-14公开中

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