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3ILP
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BU of 3ilp by Molmil
Structure of mCD1d with bound glycolipid BbGL-2f from Borrelia burgdorferi
Descriptor: (2S)-3-(alpha-D-galactopyranosyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zajonc, D.M.
Deposit date:2009-08-07
Release date:2010-01-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Lipid binding orientation within CD1d affects recognition of Borrelia burgorferi antigens by NKT cells.
Proc.Natl.Acad.Sci.USA, 107, 2010
1GKD
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BU of 1gkd by Molmil
MMP9 active site mutant-inhibitor complex
Descriptor: 2-AMINO-N,3,3-TRIMETHYLBUTANAMIDE, 2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-METHYLPENTANOIC ACID, 92 KDA TYPE IV COLLAGENASE, ...
Authors:Rowsell, S, Pauptit, R.A.
Deposit date:2001-08-10
Release date:2002-05-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Mmp9 in Complex with a Reverse Hydroxamate Inhibitor
J.Mol.Biol., 319, 2002
5V1B
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BU of 5v1b by Molmil
Structure of PHD1 in complex with 1,2,4-Triazolo-[1,5-a]pyridine
Descriptor: 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile, Egl nine homolog 2, FE (III) ION, ...
Authors:Skene, R.J.
Deposit date:2017-03-01
Release date:2017-06-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction.
J. Med. Chem., 60, 2017
1GKC
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BU of 1gkc by Molmil
MMP9-inhibitor complex
Descriptor: 92 KDA TYPE IV COLLAGENASE, CALCIUM ION, N~2~-[(2R)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-N,3-dimethyl-L-valinamide, ...
Authors:Rowsell, S, Pauptit, R.A.
Deposit date:2001-08-10
Release date:2002-05-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Mmp9 in Complex with a Reverse Hydroxamate Inhibitor
J.Mol.Biol., 319, 2002
5V0U
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BU of 5v0u by Molmil
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to follow on fragment EBSI-4723 4-(5-chlorothiophen-2-yl)-1H-pyrazole
Descriptor: 4-(5-chlorothiophen-2-yl)-1H-pyrazole, Polymerase acidic protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-02-28
Release date:2017-03-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase
To Be Published
5V18
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BU of 5v18 by Molmil
Structure of PHD2 in complex with 1,2,4-Triazolo-[1,5-a]pyridine
Descriptor: 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile, Egl nine homolog 1, FE (II) ION, ...
Authors:Skene, R.J.
Deposit date:2017-03-01
Release date:2017-06-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction.
J. Med. Chem., 60, 2017
3ICT
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BU of 3ict by Molmil
Crystal structure of reduced Bacillus anthracis CoADR-RHD
Descriptor: ADENOSINE-5'-DIPHOSPHATE, COENZYME A, Coenzyme A-Disulfide Reductase, ...
Authors:Wallen, J.R, Claiborne, A.
Deposit date:2009-07-18
Release date:2009-11-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure and catalytic properties of Bacillus anthracis CoADR-RHD: implications for flavin-linked sulfur trafficking.
Biochemistry, 48, 2009
1RPV
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BU of 1rpv by Molmil
HIV-1 REV PROTEIN (RESIDUES 34-50)
Descriptor: HIV-1 REV PROTEIN
Authors:Scanlon, M.J, Fairlie, D.P, Craik, D.J, Englebretsen, D.R, West, M.L.
Deposit date:1995-05-04
Release date:1995-10-15
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:NMR solution structure of the RNA-binding peptide from human immunodeficiency virus (type 1) Rev.
Biochemistry, 34, 1995
3UPU
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BU of 3upu by Molmil
Crystal structure of the T4 Phage SF1B Helicase Dda
Descriptor: 5'-D(*TP*TP*TP*TP*TP*TP*TP*T)-3', ATP-dependent DNA helicase dda
Authors:He, X, Yun, M.K, Pemble IV, C.W, Kreuzer, K.N, Raney, K.D, White, S.W.
Deposit date:2011-11-18
Release date:2012-06-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.299 Å)
Cite:The T4 Phage SF1B Helicase Dda Is Structurally Optimized to Perform DNA Strand Separation.
Structure, 20, 2012
3T8V
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BU of 3t8v by Molmil
A bestatin-based chemical biology strategy reveals distinct roles for malaria M1- and M17-family aminopeptidases
Descriptor: M1 family aminopeptidase, MAGNESIUM ION, N-[(2-{2-[(N-{(2S,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-alanyl)amino]ethoxy}ethoxy)acetyl]-4-benzoyl-L-phenylalanyl-N~6~-hex-5-ynoyllysinamide, ...
Authors:McGowan, S, Klemba, M, Greebaum, D.C.
Deposit date:2011-08-01
Release date:2011-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bestatin-based chemical biology strategy reveals distinct roles for malaria M1- and M17-family aminopeptidases
Proc.Natl.Acad.Sci.USA, 108, 2011
3T8W
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BU of 3t8w by Molmil
A bestatin-based chemical biology strategy reveals distinct roles for malaria M1- and M17-family aminopeptidases
Descriptor: CARBONATE ION, M17 leucyl aminopeptidase, N-((2R,3S,6S,18S,21S)-2-amino-18-(4-benzoylbenzyl)-21-carbamoyl-3-hydroxy-6-(naphthalen-2-ylmethyl)-4,7,16,19-tetraoxo-1-phenyl-11,14-dioxa-5,8,17,20-tetraazapentacosan-25-yl)hex-5-ynamide, ...
Authors:McGowan, S, Klemba, M, Greebaum, D.C.
Deposit date:2011-08-01
Release date:2011-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Bestatin-based chemical biology strategy reveals distinct roles for malaria M1- and M17-family aminopeptidases
Proc.Natl.Acad.Sci.USA, 108, 2011
1ETG
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BU of 1etg by Molmil
REV RESPONSE ELEMENT (RRE) RNA COMPLEXED WITH REV PEPTIDE, NMR, 19 STRUCTURES
Descriptor: REV PEPTIDE, REV RESPONSIVE ELEMENT RNA
Authors:Battiste, J.L, Mao, H, Rao, N.S, Tan, R, Muhandiram, D.R, Kay, L.E, Frankel, A.D, Willamson, J.R.
Deposit date:1996-08-28
Release date:1997-03-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Alpha helix-RNA major groove recognition in an HIV-1 rev peptide-RRE RNA complex.
Science, 273, 1996
1ETF
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BU of 1etf by Molmil
REV RESPONSE ELEMENT (RRE) RNA COMPLEXED WITH REV PEPTIDE, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: REV PEPTIDE, REV RESPONSE ELEMENT RNA
Authors:Battiste, J.L, Mao, H, Rao, N.S, Tan, R, Muhandiram, D.R, Kay, L.E, Frankel, A.D, Willamson, J.R.
Deposit date:1996-08-28
Release date:1997-03-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Alpha helix-RNA major groove recognition in an HIV-1 rev peptide-RRE RNA complex.
Science, 273, 1996
1EAX
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BU of 1eax by Molmil
Crystal structure of MTSP1 (matriptase)
Descriptor: BENZAMIDINE, SULFATE ION, SUPPRESSOR OF TUMORIGENICITY 14
Authors:Friedrich, R, Bode, W.
Deposit date:2001-07-17
Release date:2002-01-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Catalytic Domain Structures of Mt-Sp1/Matriptase, a Matrix-Degrading Transmembrane Serine Proteinase.
J.Biol.Chem., 277, 2002
1NOH
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BU of 1noh by Molmil
The structure of bacteriophage phi29 scaffolding protein gp7 after prohead assembly
Descriptor: HEAD MORPHOGENESIS PROTEIN
Authors:Morais, M.C, Kanamaru, S, Badasso, M.O, Koti, J.S, Owen, B.L, McMurray, C.T, L Anderson, D, Rossmann, M.G.
Deposit date:2003-01-16
Release date:2003-07-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Bacteriophage f29 scaffolding protein gp7 before and after prohead assembly
Nat.Struct.Biol., 10, 2003
1EAW
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BU of 1eaw by Molmil
Crystal structure of the MTSP1 (matriptase)-BPTI (aprotinin) complex
Descriptor: PANCREATIC TRYPSIN INHIBITOR, SUPPRESSOR OF TUMORIGENICITY 14
Authors:Friedrich, R, Bode, W.
Deposit date:2001-07-17
Release date:2002-01-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Catalytic Domain Structures of Mt-Sp1/Matriptase, a Matrix-Degrading Transmembrane Serine Proteinase.
J.Biol.Chem., 277, 2002
2M8E
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BU of 2m8e by Molmil
NMR structure of the PAI subdomain of Sleeping Beauty transposase
Descriptor: SLEEPING BEAUTY TRANSPOSASE
Authors:Eubanks, C, Schreifels, J, Aronovich, E, Carlson, D, Hacjkett, P, Nesmelova, I.
Deposit date:2013-05-17
Release date:2013-12-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structural analysis of Sleeping Beauty transposase binding to DNA.
Protein Sci., 23, 2014
1AV8
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BU of 1av8 by Molmil
RIBONUCLEOTIDE REDUCTASE R2 SUBUNIT FROM E. COLI
Descriptor: MU-OXO-DIIRON, RIBONUCLEOTIDE REDUCTASE R2
Authors:Han, S, Arvai, A, Tainer, J.A.
Deposit date:1997-09-30
Release date:1998-10-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Characterization of Y122F R2 of Escherichia coli ribonucleotide reductase by time-resolved physical biochemical methods and X-ray crystallography.
Biochemistry, 37, 1998
2PLV
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BU of 2plv by Molmil
STRUCTURAL FACTORS THAT CONTROL CONFORMATIONAL TRANSITIONS AND SEROTYPE SPECIFICITY IN TYPE 3 POLIOVIRUS
Descriptor: HUMAN POLIOVIRUS TYPE 1 (SUBUNIT VP1), HUMAN POLIOVIRUS TYPE 1 (SUBUNIT VP2), HUMAN POLIOVIRUS TYPE 1 (SUBUNIT VP3), ...
Authors:Filman, D.J, Hogle, J.M.
Deposit date:1989-10-17
Release date:1989-10-17
Last modified:2023-04-19
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structural factors that control conformational transitions and serotype specificity in type 3 poliovirus
EMBO J., 8, 1989
5UY8
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BU of 5uy8 by Molmil
Crystal structure of AICARFT bound to an antifolate
Descriptor: 5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, ...
Authors:Wang, J, Wang, Y, Fales, K.R, Atwell, S, Clawson, D.
Deposit date:2017-02-23
Release date:2018-01-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017
5UZ0
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BU of 5uz0 by Molmil
Crystal structure of AICARFT bound to an antifolate
Descriptor: AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, MAGNESIUM ION, ...
Authors:Atwell, S, Wang, Y, Fales, K.R, Clawson, D, Wang, J.
Deposit date:2017-02-24
Release date:2018-01-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017
1MPJ
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BU of 1mpj by Molmil
X-RAY CRYSTALLOGRAPHIC STUDIES ON HEXAMERIC INSULINS IN THE PRESENCE OF HELIX-STABILIZING AGENTS, THIOCYANATE, METHYLPARABEN AND PHENOL
Descriptor: CHLORIDE ION, PHENOL, PHENOL INSULIN, ...
Authors:Whittingham, J.L, Dodson, E.J, Moody, P.C.E, Dodson, G.G.
Deposit date:1995-09-13
Release date:1996-01-29
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray crystallographic studies on hexameric insulins in the presence of helix-stabilizing agents, thiocyanate, methylparaben, and phenol.
Biochemistry, 34, 1995
1FIH
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BU of 1fih by Molmil
N-ACETYLGALACTOSAMINE BINDING MUTANT OF MANNOSE-BINDING PROTEIN A (QPDWG-HDRPY), COMPLEX WITH N-ACETYLGALACTOSAMINE
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Feinberg, H, Torgerson, D, Drickamer, K, Weis, W.I.
Deposit date:2000-08-03
Release date:2000-08-23
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mechanism of pH-dependent N-acetylgalactosamine binding by a functional mimic of the hepatocyte asialoglycoprotein receptor.
J.Biol.Chem., 275, 2000
1FV9
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BU of 1fv9 by Molmil
Crystal structure of human microurokinase in complex with 2-amino-5-hydroxy-benzimidazole
Descriptor: 2-AMINO-5-HYDROXY-BENZIMIDAZOLE, SULFATE ION, UROKINASE
Authors:Nienaber, V.
Deposit date:2000-09-19
Release date:2000-10-18
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification of novel inhibitors of urokinase via NMR-based screening.
J.Med.Chem., 43, 2000
1NHS
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BU of 1nhs by Molmil
AN L40C MUTATION CONVERTS THE CYSTEINE-SULFENIC ACID REDOX CENTRE IN ENTEROCOCCAL NADH PEROXIDASE TO A DISULFIDE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH PEROXIDASE, SULFATE ION
Authors:Mande, S.S, Claiborne, A, Hol, W.G.J.
Deposit date:1994-12-09
Release date:1995-02-14
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:An L40C mutation converts the cysteine-sulfenic acid redox center in enterococcal NADH peroxidase to a disulfide.
Biochemistry, 34, 1995

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