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7ERD
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BU of 7erd by Molmil
Crystal structure of human Biliverdin IX-beta reductase B with Flunixin Meglumin (FMG)
Descriptor: 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H.
Deposit date:2021-05-06
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target.
J.Med.Chem., 65, 2022
7ERC
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BU of 7erc by Molmil
Crystal structure of human Biliverdin IX-beta reductase B with Deferasirox (ICL)
Descriptor: 4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H.
Deposit date:2021-05-06
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target.
J.Med.Chem., 65, 2022
7ER8
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BU of 7er8 by Molmil
Crystal structure of human Biliverdin IX-beta reductase B with Sulfasalazine (SAS)
Descriptor: 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H.
Deposit date:2021-05-06
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target.
J.Med.Chem., 65, 2022
7ERB
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BU of 7erb by Molmil
Crystal structure of human Biliverdin IX-beta reductase B with Ataluren (PTC)
Descriptor: 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H.
Deposit date:2021-05-06
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target.
J.Med.Chem., 65, 2022
7ERA
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BU of 7era by Molmil
Crystal structure of human Biliverdin IX-beta reductase B with Olsalazine Sodium (OSS)
Descriptor: 5-[(E)-(3-carboxy-4-oxidanyl-phenyl)diazenyl]-2-oxidanyl-benzoic acid, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H.
Deposit date:2021-05-06
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target.
J.Med.Chem., 65, 2022
1ERI
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BU of 1eri by Molmil
X-RAY STRUCTURE OF THE DNA-ECO RI ENDONUCLEASE-DNA RECOGNITION COMPLEX: THE RECOGNITION NETWORK AND THE INTEGRATION OF RECOGNITION AND CLEAVAGE
Descriptor: DNA (5'-D(*TP*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), PROTEIN (ECO RI ENDONUCLEASE (E.C.3.1.21.4))
Authors:Kim, Y, Grable, J.C, Love, R, Greene, P.J, Rosenberg, J.M.
Deposit date:1994-05-18
Release date:1995-02-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Refinement of Eco RI endonuclease crystal structure: a revised protein chain tracing.
Science, 249, 1990
7JMR
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BU of 7jmr by Molmil
Crystal structure of the pea pathogenicity protein 2 from Madurella mycetomatis
Descriptor: CALCIUM ION, POTASSIUM ION, Pea pathogenicity protein 2
Authors:Zeug, M, Markovic, N, Iancu, C.V, Tripp, J, Oreb, M, Choe, J.
Deposit date:2020-08-02
Release date:2021-02-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal structures of non-oxidative decarboxylases reveal a new mechanism of action with a catalytic dyad and structural twists.
Sci Rep, 11, 2021
7JMV
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BU of 7jmv by Molmil
Crystal structure of the pea pathogenicity protein 2 from Madurella mycetomatis complexed with 4-nitrocatechol
Descriptor: 4-NITROCATECHOL, CALCIUM ION, POTASSIUM ION, ...
Authors:Zeug, M, Markovic, N, Iancu, C.V, Tripp, J, Oreb, M, Choe, J.
Deposit date:2020-08-03
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal structures of non-oxidative decarboxylases reveal a new mechanism of action with a catalytic dyad and structural twists.
Sci Rep, 11, 2021
4J4L
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BU of 4j4l by Molmil
Modular evolution and design of the protein binding interface
Descriptor: Interleukin-6, Internalin B,REPEAT MODULES,Variable lymphocyte receptor B
Authors:Cheong, H.K, Kim, H.J.
Deposit date:2013-02-07
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Modular evolution and design of the protein binding interface
To be Published
7KD9
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BU of 7kd9 by Molmil
Crystal Structure of Gallic Acid Decarboxylase from Arxula adeninivorans
Descriptor: Gallate decarboxylase, POTASSIUM ION
Authors:Zeug, M, Markovic, N, Iancu, C.V, Tripp, J, Oreb, M, Choe, J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structures of non-oxidative decarboxylases reveal a new mechanism of action with a catalytic dyad and structural twists.
Sci Rep, 11, 2021
1ZFP
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BU of 1zfp by Molmil
GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN COMPLEXED WITH A PHOSPHOTYROSYL PENTAPEPTIDE
Descriptor: EPIDERMAL GROWTH FACTOR RECEPTOR-DERIVED PEPTIDE, GROWTH FACTOR RECEPTOR BINDING PROTEIN, ZINC ION
Authors:Rahuel, J.
Deposit date:1998-03-26
Release date:1999-03-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the high affinity of amino-aromatic SH2 phosphopeptide ligands.
J.Mol.Biol., 279, 1998
1YRV
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BU of 1yrv by Molmil
Novel Ubiquitin-Conjugating Enzyme
Descriptor: ubiquitin-conjugating ligase MGC351130
Authors:Walker, J.R, Choe, J, Avvakumov, G.V, Newman, E.M, MacKenzie, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2005-02-04
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
4H6A
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BU of 4h6a by Molmil
Crystal Structure of the Allene Oxide Cyclase 2 from Physcomitrella patens
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Allene oxide cyclase, ...
Authors:Neumann, P, Ficner, R.
Deposit date:2012-09-19
Release date:2012-10-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structures of Physcomitrella patens AOC1 and AOC2: Insights into the Enzyme Mechanism and Differences in Substrate Specificity.
Plant Physiol., 160, 2012
4H6C
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BU of 4h6c by Molmil
Crystal Structure of the Allene Oxide Cyclase 1 from Physcomitrella patens
Descriptor: Allene oxide cyclase, HEXANE-1,6-DIOL, PHOSPHATE ION
Authors:Neumann, P, Ficner, R.
Deposit date:2012-09-19
Release date:2012-10-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal Structures of Physcomitrella patens AOC1 and AOC2: Insights into the Enzyme Mechanism and Differences in Substrate Specificity.
Plant Physiol., 160, 2012
1FTG
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BU of 1ftg by Molmil
STRUCTURE OF APOFLAVODOXIN: CLOSURE OF A TYROSINE/TRYPTOPHAN AROMATIC GATE LEADS TO A COMPACT FOLD
Descriptor: APOFLAVODOXIN, SULFATE ION
Authors:Romero, A.
Deposit date:1995-11-21
Release date:1996-12-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Closure of a tyrosine/tryptophan aromatic gate leads to a compact fold in apo flavodoxin.
Nat.Struct.Biol., 3, 1996
4H6B
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BU of 4h6b by Molmil
Structural basis for allene oxide cyclization in moss
Descriptor: (9Z)-11-{(2R,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid, (9Z)-11-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid, Allene oxide cyclase, ...
Authors:Neumann, P, Ficner, R.
Deposit date:2012-09-19
Release date:2012-10-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal Structures of Physcomitrella patens AOC1 and AOC2: Insights into the Enzyme Mechanism and Differences in Substrate Specificity.
Plant Physiol., 160, 2012
7ALZ
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BU of 7alz by Molmil
GqqA- a novel type of quorum quenching acylases
Descriptor: PHENYLALANINE, Prephenate dehydratase
Authors:Werner, N, Betzel, C.
Deposit date:2020-10-07
Release date:2021-08-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:The Komagataeibacter europaeus GqqA is the prototype of a novel bifunctional N-Acyl-homoserine lactone acylase with prephenate dehydratase activity.
Sci Rep, 11, 2021
7AM0
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BU of 7am0 by Molmil
GqqA- a novel type of quorum quenching acylases
Descriptor: PHENYLALANINE, Prephenate dehydratase
Authors:Werner, N, Betzel, C.
Deposit date:2020-10-07
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Komagataeibacter europaeus GqqA is the prototype of a novel bifunctional N-Acyl-homoserine lactone acylase with prephenate dehydratase activity.
Sci Rep, 11, 2021
4H69
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BU of 4h69 by Molmil
Crystal Structure of the Allene Oxide Cyclase 2 from Physcomitrella patens complexed with substrate analog
Descriptor: (9Z)-11-{(2R,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid, Allene oxide cyclase, ISOPROPYL ALCOHOL, ...
Authors:Neumann, P, Ficner, R.
Deposit date:2012-09-19
Release date:2012-10-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Physcomitrella patens AOC1 and AOC2: Insights into the Enzyme Mechanism and Differences in Substrate Specificity.
Plant Physiol., 160, 2012
8W1L
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BU of 8w1l by Molmil
Structure of CSF1R kinase domain in complex with Cpd 32
Descriptor: GLYCEROL, Macrophage colony-stimulating factor 1 receptor,CSF1R, SULFATE ION, ...
Authors:Kothe, M, Chodaparambil, J.
Deposit date:2024-02-16
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Identification of Selective Imidazopyridine CSF1R Inhibitors.
Acs Med.Chem.Lett., 15, 2024
3P0B
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BU of 3p0b by Molmil
Thermus thermophilus family GH57 branching enzyme: crystal structure, mechanism of action and products formed
Descriptor: GLYCEROL, TT1467 protein
Authors:Pijning, T, Dijkstra, B.W.
Deposit date:2010-09-28
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Thermus thermophilus GLYCOSYL HYDROLASE FAMILY 57 branching enzyme: crystal structure, mechanism of action and products formed
To be Published
3PUI
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BU of 3pui by Molmil
Cocaine Esterase with mutations G4C, S10C
Descriptor: CHLORIDE ION, Cocaine esterase, SODIUM ION
Authors:Nance, M.R, Tesmer, J.J.G.
Deposit date:2010-12-04
Release date:2011-09-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Subunit stabilization and polyethylene glycolation of cocaine esterase improves in vivo residence time.
Mol.Pharmacol., 80, 2011
2KTX
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BU of 2ktx by Molmil
COMPLETE KALIOTOXIN FROM ANDROCTONUS MAURETANICUS MAURETANICUS, NMR, 18 STRUCTURES
Descriptor: KALIOTOXIN
Authors:Gairi, M, Romi, R, Fernandez, I, Rochat, H, Martin-Eauclaire, M.-F, Van Rietschtoten, J, Pons, M, Giralt, E.
Deposit date:1997-02-27
Release date:1997-06-16
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:3D structure of kaliotoxin: is residue 34 a key for channel selectivity?
J.Pept.Sci., 3, 1997
5C37
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BU of 5c37 by Molmil
Structure of the beta-ketoacyl reductase domain of human fatty acid synthase bound to a spiro-imidazolone inhibitor
Descriptor: 6-{[(3R)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1H-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one, CHLORIDE ION, Fatty acid synthase, ...
Authors:Schubert, C, Milligan, C.M, Vo, K, Grasberger, B.
Deposit date:2015-06-17
Release date:2016-06-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and synthesis of a series of bioavailable fatty acid synthase (FASN) KR domain inhibitors for cancer therapy.
Bioorg.Med.Chem.Lett., 28, 2018
2BEE
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BU of 2bee by Molmil
Complex Between Paromomycin derivative JS4 and the 16S-Rrna A Site
Descriptor: (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-4-(2-(3-AMINOPROPYLAMINO)ETHOXY)-5-((1R,2R,3S,5R,6S)-3,5-DIAM INO-2-((2S,3R,4R,5S,6R)-3-AMINO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-( HYDROXYMETHYL)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL, 5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3'
Authors:Francois, B, Westhof, E.
Deposit date:2005-10-24
Release date:2005-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Antibacterial aminoglycosides with a modified mode of binding to the ribosomal-RNA decoding site
ANGEW.CHEM.INT.ED.ENGL., 43, 2004

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