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3KTR
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BU of 3ktr by Molmil
Structural basis of ataxin-2 recognition by poly(A)-binding protein
Descriptor: Ataxin-2, CADMIUM ION, Polyadenylate-binding protein 1, ...
Authors:Kozlov, G, Gehring, K.
Deposit date:2009-11-25
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of binding of P-body-associated proteins GW182 and ataxin-2 by the Mlle domain of poly(A)-binding protein.
J.Biol.Chem., 285, 2010
3KYR
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BU of 3kyr by Molmil
Bace-1 in complex with a norstatine type inhibitor
Descriptor: 3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid, Beta-secretase 1
Authors:Lindberg, J.D, Borkakoti, N, Derbyshire, D, Nystrom, S.
Deposit date:2009-12-07
Release date:2010-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Investigation of a-phenylnorstatine and a-benzylnorstatine as transition state isostere motifs in the search for new BACE-1 inhibiotrs
To be Published
1CDK
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BU of 1cdk by Molmil
CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT (E.C.2.7.1.37) (PROTEIN KINASE A) COMPLEXED WITH PROTEIN KINASE INHIBITOR PEPTIDE FRAGMENT 5-24 (PKI(5-24) ISOELECTRIC VARIANT CA) AND MN2+ ADENYLYL IMIDODIPHOSPHATE (MNAMP-PNP) AT PH 5.6 AND 7C AND 4C
Descriptor: CAMP-DEPENDENT PROTEIN KINASE, MANGANESE (II) ION, MYRISTIC ACID, ...
Authors:Bossemeyer, D, Engh, R.A, Kinzel, V, Ponstingl, H, Huber, R.
Deposit date:1994-07-04
Release date:1995-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phosphotransferase and substrate binding mechanism of the cAMP-dependent protein kinase catalytic subunit from porcine heart as deduced from the 2.0 A structure of the complex with Mn2+ adenylyl imidodiphosphate and inhibitor peptide PKI(5-24).
EMBO J., 12, 1993
3KTP
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BU of 3ktp by Molmil
Structural basis of GW182 recognition by poly(A)-binding protein
Descriptor: Polyadenylate-binding protein 1, Trinucleotide repeat-containing gene 6C protein
Authors:Kozlov, G, Gehring, K.
Deposit date:2009-11-25
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of binding of P-body-associated proteins GW182 and ataxin-2 by the Mlle domain of poly(A)-binding protein.
J.Biol.Chem., 285, 2010
6G0K
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BU of 6g0k by Molmil
Crystal structure of Enterococcus faecium D63r Penicillin-Binding protein 5 (PBP5fm)
Descriptor: Low affinity penicillin-binding protein 5 (PBP5), SULFATE ION
Authors:Sauvage, E, El Gachi, M, Herman, R, Kerff, F, Charlier, P.
Deposit date:2018-03-19
Release date:2019-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of inactivation of Enterococcus faecium penicillin binding protein 5 by ceftobiprole.
To Be Published
3KEE
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BU of 3kee by Molmil
HCV NS3/NS4A complexed with Non-covalent macrocyclic compound TMC435
Descriptor: (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, 19-mer peptide from Genome polyprotein, GLYCEROL, ...
Authors:Lindberg, J.D, Nystrom, S, Cummings, M.D.
Deposit date:2009-10-26
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Induced-Fit Binding of the Macrocyclic Noncovalent Inhibitor TMC435 to its HCV NS3/NS4A Protease Target
Angew.Chem.Int.Ed.Engl., 49, 2010
3KUS
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BU of 3kus by Molmil
Crystal structure of the MLLE domain of poly(A)-binding protein in complex with the binding region of Paip2
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, PAIP2 protein, ...
Authors:Kozlov, G, Gehring, K.
Deposit date:2009-11-27
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular Determinants of PAM2 Recognition by the MLLE Domain of Poly(A)-Binding Protein.
J.Mol.Biol., 397, 2010
3KUR
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BU of 3kur by Molmil
Crystal structure of the MLLE domain of poly(A)-binding protein
Descriptor: CHLORIDE ION, Polyadenylate-binding protein 1
Authors:Kozlov, G, Gehring, K.
Deposit date:2009-11-27
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular Determinants of PAM2 Recognition by the MLLE Domain of Poly(A)-Binding Protein.
J.Mol.Biol., 397, 2010
6G88
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BU of 6g88 by Molmil
Crystal structure of Enterococcus Faecium D63r Penicillin-Binding protein 5 (PBP5fm)
Descriptor: (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyrrolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Low affinity penicillin-binding protein 5 (PBP5), SULFATE ION
Authors:Sauvage, E, El Gachi, M, Herman, R, Kerff, F, Charlier, P.
Deposit date:2018-04-08
Release date:2019-04-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of inactivation of Enterococcus faecium penicillin binding protein 5 by ceftobiprole.
To Be Published
3KF2
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BU of 3kf2 by Molmil
The HCV NS3/NS4A protease apo structure
Descriptor: 19-mer peptide from Genome polyprotein, Polyprotein, ZINC ION
Authors:Lindberg, J.D, Nystrom, S, Cummings, M.D.
Deposit date:2009-10-27
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Induced-Fit Binding of the Macrocyclic Noncovalent Inhibitor TMC435 to its HCV NS3/NS4A Protease Target
Angew.Chem.Int.Ed.Engl., 49, 2010
3IDV
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BU of 3idv by Molmil
Crystal structure of the a0a fragment of ERp72
Descriptor: CHLORIDE ION, Protein disulfide-isomerase A4, ZINC ION
Authors:Kozlov, G, Gehring, K.
Deposit date:2009-07-21
Release date:2010-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of the Catalytic a(0)a Fragment of the Protein Disulfide Isomerase ERp72.
J.Mol.Biol., 401, 2010
3KUT
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BU of 3kut by Molmil
Crystal structure of the MLLE domain of poly(A)-binding protein in complex with the binding region of Paip2
Descriptor: CHLORIDE ION, PAIP2 protein, Polyadenylate-binding protein 1
Authors:Kozlov, G, Gehring, K.
Deposit date:2009-11-27
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular Determinants of PAM2 Recognition by the MLLE Domain of Poly(A)-Binding Protein.
J.Mol.Biol., 397, 2010
8BP0
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BU of 8bp0 by Molmil
Crystal structure of BHMeHis1.8, an engineered enzyme for the Morita-Baylis-Hillman reaction
Descriptor: 1,2-ETHANEDIOL, BHMeHis1.8, TRIETHYLENE GLYCOL
Authors:Hardy, F.J.
Deposit date:2022-11-15
Release date:2024-02-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.621 Å)
Cite:A non-canonical nucleophile unlocks a new mechanistic pathway in a designed enzyme.
Nat Commun, 15, 2024
8BP1
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BU of 8bp1 by Molmil
Crystal structure of BHMeHis1.0, an engineered enzyme for the Morita-Baylis-Hillman reaction
Descriptor: ACETATE ION, BHMeHis1.0, DI(HYDROXYETHYL)ETHER, ...
Authors:Hardy, F.J.
Deposit date:2022-11-15
Release date:2024-02-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:A non-canonical nucleophile unlocks a new mechanistic pathway in a designed enzyme.
Nat Commun, 15, 2024
8EGQ
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BU of 8egq by Molmil
Branched chain ketoacid dehydrogenase kinase complexes
Descriptor: (2S)-2-ethyl-4-{[(2'M)-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ...
Authors:Liu, S.
Deposit date:2022-09-13
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.955 Å)
Cite:Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
J.Biol.Chem., 299, 2023
8EGD
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BU of 8egd by Molmil
Branched chain ketoacid dehydrogenase kinase in complex with inhibitor
Descriptor: 5-(4-methoxyphenyl)-1H-tetrazole, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Liu, S.
Deposit date:2022-09-12
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
J.Biol.Chem., 299, 2023
8EGF
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BU of 8egf by Molmil
Branched chain ketoacid dehydrogenase kinase in complex with inhibitor
Descriptor: (5P)-5-(4'-methyl[1,1'-biphenyl]-2-yl)-1H-tetrazole, ADENOSINE-5'-DIPHOSPHATE, POTASSIUM ION, ...
Authors:Liu, S.
Deposit date:2022-09-12
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
J.Biol.Chem., 299, 2023
8EGU
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BU of 8egu by Molmil
Branched chain ketoacid dehydrogenase kinase complexes
Descriptor: (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ...
Authors:Liu, S.
Deposit date:2022-09-13
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.923 Å)
Cite:Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
J.Biol.Chem., 299, 2023
8F5F
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BU of 8f5f by Molmil
human branched chain ketoacid dehydrogenase kinase in complex with inhibitors
Descriptor: (2P)-2-[(4P)-4-{6-[(1-ethylcyclopropyl)methoxy]pyridin-3-yl}-1,3-thiazol-2-yl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Liu, S, Roth Flach, R, Bollinger, E, Filipski, K.
Deposit date:2022-11-14
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.149 Å)
Cite:Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels.
Nat Commun, 14, 2023
8F5J
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BU of 8f5j by Molmil
human branched chain ketoacid dehydrogenase kinase in complex with inhibitors
Descriptor: 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Liu, S, Roth Flach, R, Bollinger, E, Filipski, K.
Deposit date:2022-11-14
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.545 Å)
Cite:Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels.
Nat Commun, 14, 2023
8F5S
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BU of 8f5s by Molmil
human branched chain ketoacid dehydrogenase kinase in complex with inhibitors
Descriptor: (2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Liu, S, Roth Flach, R, Bollinger, E, Filipski, K.
Deposit date:2022-11-15
Release date:2023-07-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.793 Å)
Cite:Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels.
Nat Commun, 14, 2023
6VH6
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BU of 6vh6 by Molmil
Crystal structure of Epstein-Barr Virus Nuclear Antigen-1, EBNA1, bound to fragment
Descriptor: 4-hydroxy-6-methyl-2H-1-benzopyran-2-one, Epstein-Barr nuclear antigen 1
Authors:Messick, T.E, Lieberman, P.M.
Deposit date:2020-01-09
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Biophysical Screens Identify Fragments That Bind to the Viral DNA-Binding Proteins EBNA1 and LANA.
Molecules, 25, 2020
3UVT
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BU of 3uvt by Molmil
Crystal structure of the third catalytic domain of ERp46
Descriptor: SULFATE ION, Thioredoxin domain-containing protein 5
Authors:Kozlov, G, Gulerez, I.E, Gehring, K.
Deposit date:2011-11-30
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the third catalytic domain of the protein disulfide isomerase ERp46.
Acta Crystallogr.,Sect.F, 68, 2012
1OHJ
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BU of 1ohj by Molmil
HUMAN DIHYDROFOLATE REDUCTASE, MONOCLINIC (P21) CRYSTAL FORM
Descriptor: DIHYDROFOLATE REDUCTASE, N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-BUTYL)-PHTHALAMIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.
Deposit date:1997-09-17
Release date:1998-04-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Comparison of two independent crystal structures of human dihydrofolate reductase ternary complexes reduced with nicotinamide adenine dinucleotide phosphate and the very tight-binding inhibitor PT523.
Biochemistry, 36, 1997
4AQB
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BU of 4aqb by Molmil
MBL-Ficolin Associated Protein-1, MAP-1 aka MAP44
Descriptor: CALCIUM ION, MANNAN-BINDING LECTIN SERINE PROTEASE 1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Skjoedt, M.O, Roversi, P, Hummelshoj, T, Palarasah, Y, Johnson, S, Lea, S.M, Garred, P.
Deposit date:2012-04-16
Release date:2012-08-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Crystal Structure and Functional Characterization of the Complement Regulator Mannose-Binding Lectin (Mbl)/Ficolin-Associated Protein-1 (Map-1).
J.Biol.Chem., 287, 2012

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