Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

7O4O
DownloadVisualize
BU of 7o4o by Molmil
Structure of Staphylococcus aureus m1A22-tRNA methyltransferase in complex with S-adenosylhomocysteine
Descriptor: GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (Adenine(22)-N(1))-methyltransferase
Authors:Gloster, T.M, Czekster, C.M, da Silva, R.G.
Deposit date:2021-04-06
Release date:2022-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure, dynamics, and molecular inhibition of the Staphylococcus aureus m 1 A22-tRNA methyltransferase TrmK.
J.Biol.Chem., 298, 2022
1KJG
DownloadVisualize
BU of 1kjg by Molmil
SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL STRUCTURES OF SIX SUBSTRATE COMPLEXES
Descriptor: ACETATE ION, GAG POLYPROTEIN, POL POLYPROTEIN
Authors:Schiffer, C.A.
Deposit date:2001-12-04
Release date:2002-03-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate shape determines specificity of recognition for HIV-1 protease: analysis of crystal structures of six substrate complexes.
Structure, 10, 2002
5FBO
DownloadVisualize
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
4MOT
DownloadVisualize
BU of 4mot by Molmil
Structure of Streptococcus pneumonia pare in complex with AZ13072886
Descriptor: 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea, Topoisomerase IV subunit B
Authors:Ogg, D, Boriack-Sjodin, P.A.
Deposit date:2013-09-12
Release date:2013-11-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy.
Bioorg.Med.Chem.Lett., 24, 2014
7A6J
DownloadVisualize
BU of 7a6j by Molmil
Crystal Structure of EGFR-T790M/V948R in Complex with Poziotinib
Descriptor: 1,2-ETHANEDIOL, 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one, Epidermal growth factor receptor, ...
Authors:Niggenaber, J, Mueller, M.P, Rauh, D.
Deposit date:2020-08-25
Release date:2022-02-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors.
J.Med.Chem., 65, 2022
6SQU
DownloadVisualize
BU of 6squ by Molmil
Crystal structure of human SHIP2 catalytic domain in complex with 1,2,4 Dimer
Descriptor: 5,5'-(ethane-1,2-diylbis(oxy))bis(benzene-5,4,2,1,-tetrayl)hexakisphosphate, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2
Authors:Whitfield, H, Brearley, C.A, Hemmings, A.M.
Deposit date:2019-09-04
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Allosteric Site on SHIP2 Identified Through Fluorescent Ligand Screening and Crystallography: A Potential New Target for Intervention.
J.Med.Chem., 64, 2021
8CCW
DownloadVisualize
BU of 8ccw by Molmil
Crystal structure of human Sirt3 in complex with an acetylated HIV1 Tat-46-54 substrate peptide
Descriptor: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, Protein Tat, ...
Authors:Adolph, R.S, Steegborn, C.
Deposit date:2023-01-27
Release date:2023-05-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Molecular Mechanism of Sirtuin 1 Inhibition by Human Immunodeficiency Virus 1 Tat Protein.
Life, 13, 2023
7OCR
DownloadVisualize
BU of 7ocr by Molmil
NADPH and fructose-6-phosphate bound to the dehydrogenase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD from Acinetobacter baumannii
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Tam, H.K, Mueller, V, Pos, K.M.
Deposit date:2021-04-28
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7OCN
DownloadVisualize
BU of 7ocn by Molmil
Crystal structure of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD from Acinetobacter baumannii
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, ...
Authors:Tam, H.K, Mueller, V, Pos, K.M.
Deposit date:2021-04-28
Release date:2022-04-20
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7O4N
DownloadVisualize
BU of 7o4n by Molmil
Structure of Staphylococcus aureus m1A22-tRNA methyltransferase in complex with S-adenosylmethionine
Descriptor: GLYCEROL, S-ADENOSYLMETHIONINE, tRNA (Adenine(22)-N(1))-methyltransferase
Authors:Gloster, T.M, Czekster, C.M, da Silva, R.G.
Deposit date:2021-04-06
Release date:2022-04-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure, dynamics, and molecular inhibition of the Staphylococcus aureus m 1 A22-tRNA methyltransferase TrmK.
J.Biol.Chem., 298, 2022
7O6S
DownloadVisualize
BU of 7o6s by Molmil
Crystal structure of a shortened IpgC variant in complex with N-(2H-1,3-benzodioxol-5-ylmethyl)cyclopentanamine
Descriptor: CHLORIDE ION, Chaperone protein IpgC, DI(HYDROXYETHYL)ETHER, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-04-12
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of a shortened IpgC variant in complex with N-(2H-1,3-benzodioxol-5-ylmethyl)cyclopentanamine
To be published
7OCP
DownloadVisualize
BU of 7ocp by Molmil
NADPH bound to the dehydrogenase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD from Acinetobacter baumannii
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Tam, H.K, Mueller, V, Pos, K.M.
Deposit date:2021-04-28
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7OAF
DownloadVisualize
BU of 7oaf by Molmil
conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta1/A, crystal form III
Descriptor: General control transcription factor GCN4,conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta1/A,General control transcription factor GCN4, PENTAETHYLENE GLYCOL
Authors:Adlakha, J, Albrecht, R, Hartmann, M.D.
Deposit date:2021-04-19
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta1/A, crystal form III
To Be Published
7O4M
DownloadVisualize
BU of 7o4m by Molmil
Structure of Staphylococcus aureus m1A22-tRNA methyltransferase
Descriptor: CITRIC ACID, GLYCEROL, tRNA (Adenine(22)-N(1))-methyltransferase
Authors:Gloster, T.M, Czekster, C.M, da Silva, R.G.
Deposit date:2021-04-06
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure, dynamics, and molecular inhibition of the Staphylococcus aureus m 1 A22-tRNA methyltransferase TrmK.
J.Biol.Chem., 298, 2022
7AHX
DownloadVisualize
BU of 7ahx by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND D-ASPARTATE TENOFOVIR WITH BOUND MANGANESE
Descriptor: D-Aspartate Tenofovir, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(*TP*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
Authors:Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
Deposit date:2020-09-25
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
4MU7
DownloadVisualize
BU of 4mu7 by Molmil
Crystal structure of cIAP1 BIR3 bound to T3450325
Descriptor: (3S,10aS)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION
Authors:Snell, G.P, Dougan, D.R.
Deposit date:2013-09-20
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Design, synthesis, and biological activities of novel hexahydropyrazino[1,2-a]indole derivatives as potent inhibitors of apoptosis (IAP) proteins antagonists with improved membrane permeability across MDR1 expressing cells.
Bioorg.Med.Chem., 21, 2013
7OAC
DownloadVisualize
BU of 7oac by Molmil
conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta1/A, crystal form I
Descriptor: General control transcription factor GCN4,conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta1/A,General control transcription factor GCN4
Authors:Adlakha, J, Albrecht, R, Hartmann, M.D.
Deposit date:2021-04-19
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta1/A, crystal form I
To Be Published
4MUE
DownloadVisualize
BU of 4mue by Molmil
Crystal strcture of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)phenylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-21
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
8CR0
DownloadVisualize
BU of 8cr0 by Molmil
Crystal structure of human carbonic anhydrase II in complex with a triazolyl benzoxaborole inhibitor
Descriptor: 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-4-[(4-fluoranylphenoxy)methyl]-1,2,3-triazole, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2023-03-07
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:6-Substituted Triazolyl Benzoxaboroles as Selective Carbonic Anhydrase Inhibitors: In Silico Design, Synthesis, and X-ray Crystallography.
J.Med.Chem., 66, 2023
7AII
DownloadVisualize
BU of 7aii by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-METHIONINE TENOFOVIR WITH BOUND MANGANESE
Descriptor: DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ...
Authors:Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
Deposit date:2020-09-27
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
4MVW
DownloadVisualize
BU of 4mvw by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1433)
Descriptor: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
1KJH
DownloadVisualize
BU of 1kjh by Molmil
SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL STRUCTURES OF SIX SUBSTRATE COMPLEXES
Descriptor: ACETATE ION, POL POLYPROTEIN
Authors:Schiffer, C.A.
Deposit date:2001-12-04
Release date:2002-03-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate shape determines specificity of recognition for HIV-1 protease: analysis of crystal structures of six substrate complexes.
Structure, 10, 2002
7OAH
DownloadVisualize
BU of 7oah by Molmil
conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta2/A
Descriptor: General control transcription factor GCN4,conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta2/A,General control transcription factor GCN4, TETRAETHYLENE GLYCOL
Authors:Adlakha, J, Albrecht, R, Hartmann, M.D.
Deposit date:2021-04-19
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.694 Å)
Cite:conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta2/A
To Be Published
4MW4
DownloadVisualize
BU of 4mw4 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1473)
Descriptor: 1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
3HDN
DownloadVisualize
BU of 3hdn by Molmil
Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 2
Descriptor: Serine/threonine-protein kinase Sgk1, [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid
Authors:Zhao, B, Hammond, M.
Deposit date:2009-05-07
Release date:2009-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009

242842

数据于2025-10-08公开中

PDB statisticsPDBj update infoContact PDBjnumon