Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
1A3L
DownloadVisualize
BU of 1a3l by Molmil
CATALYSIS OF A DISFAVORED REACTION: AN ANTIBODY EXO DIELS-ALDERASE-TSA-INHIBITOR COMPLEX AT 1.95 A RESOLUTION
Descriptor: 1-CARBOXY-1'-[(DIMETHYLAMINO)-CARBONYL]FERROCENE, IMMUNOGLOBULIN FAB 13G5 (HEAVY CHAIN), IMMUNOGLOBULIN FAB 13G5 (LIGHT CHAIN)
Authors:Heine, A, Wilson, I.A.
Deposit date:1998-01-22
Release date:1999-02-16
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An antibody exo Diels-Alderase inhibitor complex at 1.95 angstrom resolution.
Science, 279, 1998
5DR8
DownloadVisualize
BU of 5dr8 by Molmil
Endothiapepsin in complex with fragment 330
Descriptor: 2-chlorobenzohydrazide, ACETATE ION, Endothiapepsin, ...
Authors:Heine, A, Knoerlein, A, Schiebel, J, Klebe, G.
Deposit date:2015-09-15
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
1JCJ
DownloadVisualize
BU of 1jcj by Molmil
OBSERVATION OF COVALENT INTERMEDIATES IN AN ENZYME MECHANISM AT ATOMIC RESOLUTION
Descriptor: 1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATE, DEOXYRIBOSE-PHOSPHATE ALDOLASE
Authors:Heine, A, DeSantis, G, Luz, J.G, Mitchell, M, Wong, C.-H, Wilson, I.A.
Deposit date:2001-06-09
Release date:2001-10-31
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Observation of covalent intermediates in an enzyme mechanism at atomic resolution.
Science, 294, 2001
1JCL
DownloadVisualize
BU of 1jcl by Molmil
OBSERVATION OF COVALENT INTERMEDIATES IN AN ENZYME MECHANISM AT ATOMIC RESOLUTION
Descriptor: 1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATE, DEOXYRIBOSE-PHOSPHATE ALDOLASE
Authors:Heine, A, DeSantis, G, Luz, J.G, Mitchell, M, Wong, C.-H, Wilson, I.A.
Deposit date:2001-06-09
Release date:2001-10-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Observation of covalent intermediates in an enzyme mechanism at atomic resolution.
Science, 294, 2001
1MEX
DownloadVisualize
BU of 1mex by Molmil
Antibody Catalysis of a Bimolecular Cycloaddition Reaction
Descriptor: 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-BENZOIC ACID, Fab 29G12 heavy chain, Fab 29G12 light chain
Authors:Heine, A, Wilson, I.A.
Deposit date:2002-08-08
Release date:2003-09-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Antibody Catalysis of a Bimolecular Cycloaddition Reaction
To be Published
5DR7
DownloadVisualize
BU of 5dr7 by Molmil
Endothiapepsin in complex with fragment 311
Descriptor: (2R)-3-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one, ACETATE ION, Endothiapepsin, ...
Authors:Heine, A, Schiebel, J, Klebe, G.
Deposit date:2015-09-15
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.234 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
1P1X
DownloadVisualize
BU of 1p1x by Molmil
Comparison of class I aldolase binding site architecture based on the crystal structure of 2-deoxyribose-5-phosphate aldolase determined at 0.99 Angstrom resolution
Descriptor: Deoxyribose-phosphate aldolase
Authors:Heine, A, Luz, J.G, Wong, C.H, Wilson, I.A.
Deposit date:2003-04-14
Release date:2004-06-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Analysis of the class I aldolase binding site architecture based on the crystal structure of 2-deoxyribose-5-phosphate aldolase at 0.99A resolution.
J.Mol.Biol., 343, 2004
4MZQ
DownloadVisualize
BU of 4mzq by Molmil
beta-Alanyl-CoA:Ammonia Lyase from Clostridium propionicum in complex with propionyl-CoA
Descriptor: beta-Alanyl-CoA:Ammonia Lyase, propionyl Coenzyme A
Authors:Heine, A, Reuter, K.
Deposit date:2013-09-30
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.587 Å)
Cite:High resolution crystal structure of Clostridium propionicum beta-alanyl-CoA:ammonia lyase, a new member of the "hot dog fold" protein superfamily.
Proteins, 82, 2014
4MTU
DownloadVisualize
BU of 4mtu by Molmil
beta-Alanyl-CoA:Ammonia Lyase from Clostridium propionicum
Descriptor: Beta-alanyl-CoA:ammonia lyase 2, SULFATE ION, ZINC ION
Authors:Heine, A, Reuter, K.
Deposit date:2013-09-20
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:High resolution crystal structure of Clostridium propionicum beta-alanyl-CoA:ammonia lyase, a new member of the "hot dog fold" protein superfamily.
Proteins, 82, 2014
1AXT
DownloadVisualize
BU of 1axt by Molmil
IMMUNE VERSUS NATURAL SELECTION: ANTIBODY ALDOLASES WITH THE RATES OF NATURAL ENZYMES
Descriptor: IMMUNOGLOBULIN IGG2A
Authors:Heine, A, Wilson, I.A.
Deposit date:1997-10-20
Release date:1998-10-28
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Immune versus natural selection: antibody aldolases with enzymic rates but broader scope.
Science, 278, 1997
1D5T
DownloadVisualize
BU of 1d5t by Molmil
GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR, ALPHA-ISOFORM
Descriptor: GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR, SULFATE ION
Authors:Peng, L, Zeng, K, Heine, A, Moyer, B, Greasley, S.E, Kuhn, P, Balch, W.E, Wilson, I.A.
Deposit date:1999-10-11
Release date:2000-10-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:A new functional domain of guanine nucleotide dissociation inhibitor (alpha-GDI) involved in Rab recycling.
Traffic, 1, 2000
7Z6U
DownloadVisualize
BU of 7z6u by Molmil
Pim1 in complex with (E)-4-((6-amino-2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide
Descriptor: 4-[(~{E})-(6-azanyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Isoform 1 of Serine/threonine-protein kinase pim-1, ...
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2022-03-14
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
8A4N
DownloadVisualize
BU of 8a4n by Molmil
Structure of Human Aldose Reductase Mutant L300G with a Citrate Molecule Bound in the Anion Binding Pocket
Descriptor: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hubert, L.-S, Heine, A, Klebe, G.
Deposit date:2022-06-13
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Structure of Human Aldose Reductase Mutant L300G with a Citrate Molecule Bound in the Anion Binding Pocket
To Be Published
8QH6
DownloadVisualize
BU of 8qh6 by Molmil
Crystal structure of IpgC in complex with a follow-up compound based on J20
Descriptor: 3-azanyl-6-chloranyl-isoindol-1-one, CHLORIDE ION, Chaperone protein IpgC, ...
Authors:Wallbaum, J.E, Heine, A, Reuter, K.
Deposit date:2023-09-06
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC.
Acs Omega, 8, 2023
7ZNO
DownloadVisualize
BU of 7zno by Molmil
Crystal Structure of Unlinked NS2B_NS3 Protease from Zika Virus in Complex with Boronate Inhibitor MI-2270
Descriptor: Serine protease NS3, Serine protease subunit NS2B, [(1R)-1-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[2-[3-(4-carbamimidamido-3-oxidanylidene-pentyl)phenyl]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butyl]boronic acid
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2022-04-21
Release date:2022-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Boroleucine-Derived Covalent Inhibitors of the ZIKV Protease.
Chemmedchem, 18, 2023
5SW3
DownloadVisualize
BU of 5sw3 by Molmil
Crystal Structure of TGT in complex with 3-Pyridinecarboxylic acid, 6-(dimethylamino)
Descriptor: 6-(dimethylamino)pyridine-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Hassaan, E, Heine, A, Klebe, G.
Deposit date:2016-08-08
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
5UTJ
DownloadVisualize
BU of 5utj by Molmil
Crystal Structure of TGT in complex with 2,6-dioxy-8-azapurine, 2,6-dioxy-8-azapurine, 2,6-dioxy-8-azapurine
Descriptor: 8-AZAXANTHINE, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Hassaan, E, Heine, A, Klebe, G.
Deposit date:2017-02-15
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
5V3C
DownloadVisualize
BU of 5v3c by Molmil
Crystal structure of TGT in complex with 4-(aminomethane)cyclohexane-1-carboxylic acid
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Queuine tRNA-ribosyltransferase, ...
Authors:Hassaan, E, Heine, A, Klebe, G.
Deposit date:2017-03-07
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.419 Å)
Cite:Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
5UTI
DownloadVisualize
BU of 5uti by Molmil
Crystal Structure of TGT in complex with fragment in preQ1 pocket
Descriptor: DIMETHYL SULFOXIDE, L-CANAVANINE, Queuine tRNA-ribosyltransferase, ...
Authors:Hassaan, E, Heine, A, Klebe, G.
Deposit date:2017-02-15
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
8R1N
DownloadVisualize
BU of 8r1n by Molmil
Pim1 in complex with 4-(4-hydroxyphenethyl)benzoic acid and Pimtide
Descriptor: 4-(4-hydroxyphenethyl)benzoic acid, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2023-11-02
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Pim1 in complex with 4-(4-hydroxyphenethyl)benzoic acid and Pimtide
To Be Published
8R1P
DownloadVisualize
BU of 8r1p by Molmil
Pim1 in complex with 6-bromobenzo[d]oxazol-2-amine and Pimtide
Descriptor: 4-(4-aminostyryl)benzoic acid, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2023-11-02
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Pim1 in complex with 6-bromobenzo[d]oxazol-2-amine and Pimtide
To Be Published
8R10
DownloadVisualize
BU of 8r10 by Molmil
Pim1 in complex with 4-(4-hydroxystyryl)benzoic acid and Pimtide
Descriptor: (Z)-4-(4-hydroxystyryl)benzoic acid, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2023-11-01
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Pim1 in complex with 4-(4-hydroxystyryl)benzoic acid and Pimtide
To Be Published
8R18
DownloadVisualize
BU of 8r18 by Molmil
Pim1 in complex with (E)-4-(4-hydroxystyryl)benzoic acid and Pimtide
Descriptor: (E)-4-(4-hydroxystyryl)benzoic acid, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2023-11-01
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Pim1 in complex with (E)-4-(4-hydroxystyryl)benzoic acid and Pimtide
To Be Published
8R1T
DownloadVisualize
BU of 8r1t by Molmil
Pim1 in complex with 4-(4-aminophenethyl)benzoic acid and Pimtide
Descriptor: 4-(4-aminophenethyl)benzoic acid, GLYCEROL, Pimtide, ...
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2023-11-02
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pim1 in complex with 4-(4-aminophenethyl)benzoic acid and Pimtide
To Be Published
8BJL
DownloadVisualize
BU of 8bjl by Molmil
Human Aldose Reductase in Complex with a Ligand with a Fluoro-Indol-Acetic-Acid Structure (Schl44172)
Descriptor: 2-(6-fluoranylindol-1-yl)ethanoic acid, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Hubert, L.-S, Heine, A, Klebe, G.
Deposit date:2022-11-04
Release date:2023-11-15
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Human Aldose Reductase in Complex with a Ligand with a Fluoro-Indol-Acetic-Acid Structure (Schl44172)
To Be Published

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon