Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

2E9A
DownloadVisualize
BU of 2e9a by Molmil
E. coli undecaprenyl pyrophosphate synthase in complex with BPH-628
Descriptor: (1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID, Undecaprenyl pyrophosphate synthetase
Authors:Guo, R.T, Ko, T.P, Cao, R, Liang, P.H, Oldfield, E, Wang, A.H.J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
6ZKY
DownloadVisualize
BU of 6zky by Molmil
Crystal structure of InhA:01 TCR in complex with HLA-E (S147C) bound to InhA (53-61 H3C)
Descriptor: Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], HLA class I histocompatibility antigen, ...
Authors:Srikannathasan, V, Karuppiah, V, Robinson, R.A.
Deposit date:2020-06-30
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
6ZKX
DownloadVisualize
BU of 6zkx by Molmil
Crystal structure of InhA:01 TCR in complex with HLA-E (Y84C) bound to InhA (53-61 GCG)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Srikannathasan, V, Karuppiah, V, Robinson, R.A.
Deposit date:2020-06-30
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
6ZKZ
DownloadVisualize
BU of 6zkz by Molmil
Crystal structure of InhA:01 TCR in complex with HLA-E (F116C) bound to InhA (53-61 H4C)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Srikannathasan, V, Karuppiah, V, Robinson, R.A.
Deposit date:2020-06-30
Release date:2022-01-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
6ZKW
DownloadVisualize
BU of 6zkw by Molmil
Crystal structure of InhA:01 TCR in complex with HLA-E bound to InhA (53-61)
Descriptor: Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], HLA class I histocompatibility antigen, ...
Authors:Srikannathasan, V, Karuppiah, V, Robinson, R.A.
Deposit date:2020-06-30
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
6C9Q
DownloadVisualize
BU of 6c9q by Molmil
Mycobacterium tuberculosis adenosine kinase bound to 5'-aminoadenosine
Descriptor: 5'-amino-5'-deoxyadenosine, Adenosine kinase
Authors:Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-28
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6ZH0
DownloadVisualize
BU of 6zh0 by Molmil
Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, N-(3-chlorophenyl)-2,2,2-trifluoroacetamide, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2020-06-20
Release date:2022-06-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
4Y8Y
DownloadVisualize
BU of 4y8y by Molmil
Factor XIa in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1H-imidazol-5-yl}phenyl)carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2015-02-16
Release date:2015-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety.
ACS Med Chem Lett, 6, 2015
1KW0
DownloadVisualize
BU of 1kw0 by Molmil
Catalytic Domain of Human Phenylalanine Hydroxylase (Fe(II)) in Complex with Tetrahydrobiopterin and Thienylalanine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, BETA(2-THIENYL)ALANINE, FE (II) ION, ...
Authors:Andersen, O.A, Flatmark, T, Hough, E.
Deposit date:2002-01-28
Release date:2003-01-28
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Ternary Complex of the Catalytic Domain of Human Phenylalanine Hydroxylase with Tetrahydrobiopterin and 3-(2-thienyl)-L-alanine, and its Implications for the Mechanism of Catalysis and Substrate Activation
J.Mol.Biol., 320, 2002
6ZMC
DownloadVisualize
BU of 6zmc by Molmil
Structure of the tRNA-Monooxygenase enzyme MiaE frozen under 2000 bar using the high pressure freezing method
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ARGON, CALCIUM ION, ...
Authors:Carpentier, P, Atta, M.
Deposit date:2020-07-02
Release date:2020-09-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural, biochemical and functional analyses of tRNA-monooxygenase enzyme MiaE from Pseudomonas putida provide insights into tRNA/MiaE interaction.
Nucleic Acids Res., 48, 2020
8BM6
DownloadVisualize
BU of 8bm6 by Molmil
Hairpin adopted by oligonucleotide A36 found in the promoter of AUTS2 gene
Descriptor: A36
Authors:Novotny, A.
Deposit date:2022-11-10
Release date:2023-02-22
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural polymorphism driven by a register shift in a CGAG-rich region found in the promoter of the neurodevelopmental regulator AUTS2 gene.
Nucleic Acids Res., 51, 2023
1KCF
DownloadVisualize
BU of 1kcf by Molmil
Crystal Structure of the Yeast Mitochondrial Holliday Junction Resolvase, Ydc2
Descriptor: HYPOTHETICAL 30.2 KD PROTEIN C25G10.02 IN CHROMOSOME I, SULFATE ION
Authors:Ceschini, S, Keeley, A, McAlister, M.S.B, Oram, M, Phelan, J, Pearl, L.H, Tsaneva, I.R, Barrett, T.E.
Deposit date:2001-11-08
Release date:2001-11-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the fission yeast mitochondrial Holliday junction resolvase Ydc2.
EMBO J., 20, 2001
8BM7
DownloadVisualize
BU of 8bm7 by Molmil
Hairpin adopted by oligonucleotide A38 found in the promoter of AUTS2 gene.
Descriptor: A38
Authors:Novotny, A.
Deposit date:2022-11-10
Release date:2023-02-22
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural polymorphism driven by a register shift in a CGAG-rich region found in the promoter of the neurodevelopmental regulator AUTS2 gene.
Nucleic Acids Res., 51, 2023
6C9N
DownloadVisualize
BU of 6c9n by Molmil
Mycobacterium tuberculosis adenosine kinase bound to sangivamycin
Descriptor: Adenosine kinase, GLYCEROL, SANGIVAMYCIN, ...
Authors:Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-28
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
5FRM
DownloadVisualize
BU of 5frm by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ384 (compound 4a)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-azanylidene-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', ...
Authors:Maskell, D.P, Pye, V.E, Cherepanov, P.
Deposit date:2015-12-18
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases.
Acs Chem.Biol., 11, 2016
1KCM
DownloadVisualize
BU of 1kcm by Molmil
Crystal Structure of Mouse PITP Alpha Void of Bound Phospholipid at 2.0 Angstroms Resolution
Descriptor: Phosphatidylinositol Transfer Protein alpha
Authors:Schouten, A, Agianian, B, Westerman, J, Kroon, J, Wirtz, K.W.A, Gros, P.
Deposit date:2001-11-09
Release date:2002-05-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of apo-phosphatidylinositol transfer protein alpha provides insight into membrane association.
EMBO J., 21, 2002
2E95
DownloadVisualize
BU of 2e95 by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-675
Descriptor: 1-HYDROXY-2-[3'-(NAPHTHALENE-2-SULFONYLAMINO)-BIPHENYL-3-YL]ETHYLIDENE-1,1-BISPHOSPHONIC ACID, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Guo, R.T, Cao, R, Ko, T.P, Jeng, W.Y, Chang, T.H, Chen, C.K.-M, Liang, P.H, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
2E94
DownloadVisualize
BU of 2e94 by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-364
Descriptor: 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Guo, R.T, Ko, T.P, Cao, R, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
1KEQ
DownloadVisualize
BU of 1keq by Molmil
Crystal Structure of F65A/Y131C Carbonic Anhydrase V, covalently modified with 4-chloromethylimidazole
Descriptor: 4-METHYLIMIDAZOLE, ACETIC ACID, F65A/Y131C-MI Carbonic Anhydrase V, ...
Authors:Jude, K.M, Wright, S.K, Tu, C, Silverman, D.N, Viola, R.E, Christianson, D.W.
Deposit date:2001-11-16
Release date:2002-03-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of F65A/Y131C-methylimidazole carbonic anhydrase V reveals architectural features of an engineered proton shuttle.
Biochemistry, 41, 2002
5CF4
DownloadVisualize
BU of 5cf4 by Molmil
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE
Descriptor: N,N-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
Authors:Sack, J.S.
Deposit date:2015-07-08
Release date:2015-08-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors.
Acs Med.Chem.Lett., 6, 2015
2AOU
DownloadVisualize
BU of 2aou by Molmil
Histamine Methyltransferase Complexed with the Antimalarial Drug Amodiaquine
Descriptor: 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-2-[(DIETHYLAMINO)METHYL]PHENOL, Histamine N-methyltransferase
Authors:Horton, J.R, Sawada, K, Nishibori, M, Cheng, X.
Deposit date:2005-08-14
Release date:2005-09-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for inhibition of histamine N-methyltransferase by diverse drugs
J.Mol.Biol., 353, 2005
8BE7
DownloadVisualize
BU of 8be7 by Molmil
Crystal structure of SOS1-HRas-peptidomimetic3
Descriptor: GTPase HRas, SOS1-HRas-peptidomimetic3, Son of sevenless homolog 1
Authors:Fischer, B, Wohlkonig, A, Steyaert, J.
Deposit date:2022-10-21
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS.
Angew.Chem.Int.Ed.Engl., 62, 2023
1KGI
DownloadVisualize
BU of 1kgi by Molmil
Rat transthyretin (also called prealbumin) complex with 3,3',5,5'-tetraiodothyroacetic acid (t4ac)
Descriptor: 3,3',5,5'-TETRAIODOTHYROACETIC ACID, TRANSTHYRETIN
Authors:Wojtczak, A, Neumann, P, Muziol, T, Cody, V, Luft, J.R, Pangborn, W.
Deposit date:2001-11-27
Release date:2002-11-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Complex of rat transthyretin with tetraiodothyroacetic acid refined at 2.1 and 1.8 A resolution.
Acta Biochim.Pol., 48, 2001
8BE6
DownloadVisualize
BU of 8be6 by Molmil
Crystal structure of SOS1-HRas-peptidomimetic2
Descriptor: GTPase HRas, SOS1-HRas-peptidomimetic2, Son of sevenless homolog 1
Authors:Fischer, B, Wohlkonig, A, Steyaert, J.
Deposit date:2022-10-21
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.89880252 Å)
Cite:Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BE8
DownloadVisualize
BU of 8be8 by Molmil
Crystal structure of SOS1-HRas-peptidomimetic4
Descriptor: FORMIC ACID, GTPase HRas, SOS1-HRas-peptidomimetic4, ...
Authors:Fischer, B, Wohlkonig, A, Steyaert, J.
Deposit date:2022-10-21
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS.
Angew.Chem.Int.Ed.Engl., 62, 2023

224004

PDB entries from 2024-08-21

PDB statisticsPDBj update infoContact PDBjnumon