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PDB: 6648 results

7SVQ
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BU of 7svq by Molmil
Crystal Structure of L-galactose dehydrogenase from Spinacia oleracea in complex with NAD+
Descriptor: L-galactose dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C.
Deposit date:2021-11-19
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Characterization of L-Galactose Dehydrogenase: An Essential Enzyme for Vitamin C Biosynthesis.
Plant Cell.Physiol., 63, 2022
7SMI
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BU of 7smi by Molmil
Crystal Structure of L-galactose dehydrogenase from Spinacia oleracea
Descriptor: L-galactose dehydrogenase
Authors:Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C.
Deposit date:2021-10-26
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Characterization of L-Galactose Dehydrogenase: An Essential Enzyme for Vitamin C Biosynthesis.
Plant Cell.Physiol., 63, 2022
2XME
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BU of 2xme by Molmil
The X-ray structure of CTP:inositol-1-phosphate cytidylyltransferase from Archaeoglobus fulgidus
Descriptor: CTP-INOSITOL-1-PHOSPHATE CYTIDYLYLTRANSFERASE, GLYCEROL
Authors:Brito, J.A, Borges, N, Vonrhein, C, Santos, H, Archer, M.
Deposit date:2010-07-27
Release date:2011-05-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal Structure of Archaeoglobus Fulgidus Ctp:Inositol-1-Phosphate Cytidylyltransferase, a Key Enzyme for Di-Myo-Inositol-Phosphate Synthesis in (Hyper)Thermophiles.
J.Bacteriol., 193, 2011
4ZVU
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BU of 4zvu by Molmil
Caspase-7 wild-type bound to the caspase-6 cognate tetrapeptide inhibitor Ac-VEID-cho
Descriptor: Caspase-7, Tetrapeptide Inhibitor Ac-VEID-CHO
Authors:Hardy, J.A, MacPherson, D.J, Hill, M.E.
Deposit date:2015-05-18
Release date:2016-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
6YWL
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BU of 6ywl by Molmil
Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with ADP-ribose
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, ...
Authors:Schroeder, M, Ni, X, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC)
Deposit date:2020-04-29
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
4ZVQ
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BU of 4zvq by Molmil
Caspase-7 Variant 2 (V2) with reprogrammed substrate specificity due to Y230V/W232M/Q276C substitutions bound to VEID inhibitor.
Descriptor: Caspase-7, Peptide ACE-VAL-GLU-ILE-ASA
Authors:Hill, M.E, MacPherson, D.J, Hardy, J.A.
Deposit date:2015-05-18
Release date:2016-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
1BJK
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BU of 1bjk by Molmil
FERREDOXIN:NADP+ REDUCTASE MUTANT WITH ARG 264 REPLACED BY GLU (R264E)
Descriptor: FERREDOXIN--NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Hermoso, J.A, Mayoral, T, Medina, M, Martinez-Ripoll, M, Martinez-Julvez, M, Sanz-Aparicio, J, Gomez-Moreno, C.
Deposit date:1998-06-25
Release date:1998-11-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Role of Arg100 and Arg264 from Anabaena PCC 7119 ferredoxin-NADP+ reductase for optimal NADP+ binding and electron transfer.
Biochemistry, 37, 1998
6NSL
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BU of 6nsl by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound-6c AKA 6-((1-(4-CYANOPHENY L)-2-OXO-1,2-DIHYDRO-3-PYRIDINYL)AMINO)-N-CYCLOPROPYL-8-(M ETHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBOXAMIDE
Descriptor: 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
Authors:Muckelbauer, J.M, Khan, J.A.
Deposit date:2019-01-25
Release date:2020-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of Imidazo[1,2-b]pyridazine Derivatives as Potent, Selective, and Orally Active Tyk2 JH2 Inhibitors.
Acs Med.Chem.Lett., 10, 2019
2XMH
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BU of 2xmh by Molmil
The X-ray structure of CTP:inositol-1-phosphate cytidylyltransferase from Archaeoglobus fulgidus
Descriptor: CITRATE ANION, CTP-INOSITOL-1-PHOSPHATE CYTIDYLYLTRANSFERASE
Authors:Brito, J.A, Borges, N, Vonrhein, C, Santos, H, Archer, M.
Deposit date:2010-07-27
Release date:2011-05-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of Archaeoglobus fulgidus CTP:inositol-1-phosphate cytidylyltransferase, a key enzyme for di-myo-inositol-phosphate synthesis in (hyper)thermophiles.
J. Bacteriol., 193, 2011
4UML
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BU of 4uml by Molmil
Crystal structure of ganglioside induced differentiation associated protein 2 (GDAP2) macro domain
Descriptor: GANGLIOSIDE-INDUCED DIFFERENTIATION-ASSOCIATED PROTEIN 2
Authors:Elkins, J.M, Wang, J, Kopec, J, Wang, D, Strain-Damerell, C, Shrestha, L, Sieg, C, Tallant, C, Newman, J.A, von Delft, F, Bountra, C, Edwards, A, Knapp, S.
Deposit date:2014-05-19
Release date:2014-05-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of Gdap2
To be Published
6YWM
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BU of 6ywm by Molmil
Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with MES
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ...
Authors:Ni, X, Schroeder, M, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC)
Deposit date:2020-04-29
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
4ZVO
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BU of 4zvo by Molmil
Caspase-7 Variant 4 (V4) with reprogrammed substrate specificity due to Y230V/W232Y/S234V/Q276D substitutions bound to VEID inhibitor.
Descriptor: Caspase-7, Peptide ACE-VAL-GLU-ILE-ASJ
Authors:Hill, M.E, MacPherson, D.J, Hardy, J.A.
Deposit date:2015-05-18
Release date:2016-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
1BQE
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BU of 1bqe by Molmil
FERREDOXIN:NADP+ REDUCTASE MUTANT WITH THR 155 REPLACED BY GLY (T155G)
Descriptor: FERREDOXIN--NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Hermoso, J.A, Mayoral, T, Medina, M, Martinez-Ripoll, M, Martinez-Julvez, M, Sanz-Aparicio, J, Gomez-Moreno, C.
Deposit date:1998-08-14
Release date:2002-02-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Probing the determinants of coenzyme specificity in ferredoxin-NADP+ reductase by site-directed mutagenesis.
J.Biol.Chem., 276, 2001
7SML
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BU of 7sml by Molmil
Crystal Structure of L-GALACTONO-1,4-LACTONE DEHYDROGENASE de Myrciaria dubia
Descriptor: L-GALACTONO-1,4-LACTONE DEHYDROGENASE
Authors:Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C.
Deposit date:2021-10-26
Release date:2022-11-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit Camu-Camu.
J.Exp.Bot., 2024
1QS2
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BU of 1qs2 by Molmil
CRYSTAL STRUCTURE OF VIP2 WITH NAD
Descriptor: ADP-RIBOSYLTRANSFERASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Han, S, Craig, J.A, Putnam, C.D, Carozzi, N.B, Tainer, J.A.
Deposit date:1999-06-25
Release date:1999-12-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Evolution and mechanism from structures of an ADP-ribosylating toxin and NAD complex.
Nat.Struct.Biol., 6, 1999
6GIL
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BU of 6gil by Molmil
NMR structure of temporin B in SDS micelles
Descriptor: Temporin-B
Authors:Manzo, G, Mason, J.A.
Deposit date:2018-05-12
Release date:2018-06-13
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Minor sequence modifications in temporin B cause drastic changes in antibacterial potency and selectivity by fundamentally altering membrane activity.
Sci Rep, 9, 2019
6GS5
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BU of 6gs5 by Molmil
NMR structure of temporin L in SDS micelles
Descriptor: Temporin-L
Authors:Manzo, G, Mason, J.A.
Deposit date:2018-06-13
Release date:2018-07-18
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Temporin L and aurein 2.5 have identical conformations but subtly distinct membrane and antibacterial activities.
Sci Rep, 9, 2019
6GS9
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BU of 6gs9 by Molmil
NMR structure of aurein 2.5 in SDS micelles
Descriptor: Aurein 2.5
Authors:Manzo, G, Mason, J.A.
Deposit date:2018-06-13
Release date:2018-07-18
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Temporin L and aurein 2.5 have identical conformations but subtly distinct membrane and antibacterial activities.
Sci Rep, 9, 2019
6GIJ
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BU of 6gij by Molmil
NMR structure of temporin B KKG6A in SDS micelles
Descriptor: temporinB_KKG6A
Authors:Manzo, G, Mason, J.A.
Deposit date:2018-05-12
Release date:2018-06-13
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Minor sequence modifications in temporin B cause drastic changes in antibacterial potency and selectivity by fundamentally altering membrane activity.
Sci Rep, 9, 2019
6NX1
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BU of 6nx1 by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC CO-ACTIVATOR PEPTIDE AND COMPOUND-3 AKA 1,1,1,3,3,3-HEXAFLUORO-2-{4-[1-(4- LUOROBENZENESULFONYL)CYCLOPENTYL]PHENYL}PROPAN-2-OL
Descriptor: 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion
Authors:Khan, J.A.
Deposit date:2019-02-07
Release date:2020-02-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 10, 2019
1KAR
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BU of 1kar by Molmil
L-HISTIDINOL DEHYDROGENASE (HISD) STRUCTURE COMPLEXED WITH HISTAMINE (INHIBITOR), ZINC AND NAD (COFACTOR)
Descriptor: HISTAMINE, Histidinol dehydrogenase, ZINC ION
Authors:Barbosa, J.A.R.G, Sivaraman, J, Li, Y, Larocque, R, Matte, A, Schrag, J.D, Cygler, M.
Deposit date:2001-11-02
Release date:2002-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of action and NAD+-binding mode revealed by the crystal structure of L-histidinol dehydrogenase.
Proc.Natl.Acad.Sci.USA, 99, 2002
4CGL
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BU of 4cgl by Molmil
Leishmania major N-myristoyltransferase in complex with an aminoacylpyrrolidine inhibitor
Descriptor: (3R)-3-azanyl-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ...
Authors:Brannigan, J.A, Roberts, S.M, Bell, A.S, Hutton, J.A, Smith, D.F, Tate, E.W, Leatherbarrow, R.J, Wilkinson, A.J.
Deposit date:2013-11-25
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
6NZR
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BU of 6nzr by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_12 AKA 4-[(2-methanesulfonylphenyl)amino]-N-(H3)methyl-6-[(pyridin-2- yl)amino]pyridazine-3-carboxamide
Descriptor: N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
Authors:Khan, J.A.
Deposit date:2019-02-14
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6NZQ
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BU of 6nzq by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_29 AKA 6-[(5-FLUORO-4-METH YLPYRIDIN-2-YL)AMINO]-4-({2-METHOXY-3-[(PYRIDIN-2-YLMETHYL )CARBAMOYL]PHENYL}AMINO)-N-METHYLPYRIDINE-3-CARBOXAMIDE
Descriptor: 6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-N-methylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Khan, J.A.
Deposit date:2019-02-14
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6NZP
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BU of 6nzp by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-11 AKA 6-CYCLOPROPANEAMIDO-4-{[2-METHOXY-3-(1-METHYL-1H-1,2,4-TRI AZOL-3-YL)PHENYL]AMINO}-N-(?H?)METHYLPYRIDAZINE-3-CARBOXAMIDE
Descriptor: 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide, CHLORIDE ION, Non-receptor tyrosine-protein kinase TYK2
Authors:Khan, J.A.
Deposit date:2019-02-14
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019

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