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1O2D
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BU of 1o2d by Molmil
Crystal structure of Alcohol dehydrogenase, iron-containing (TM0920) from Thermotoga maritima at 1.30 A resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alcohol dehydrogenase, iron-containing, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2003-02-27
Release date:2003-06-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of an iron-containing 1,3-propanediol dehydrogenase (TM0920) from Thermotoga maritima at 1.3 A resolution
Proteins, 54, 2004
6I8M
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BU of 6i8m by Molmil
THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH ISOINDOLINONE INHIBITOR
Descriptor: (1~{S})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide, Poly [ADP-ribose] polymerase 1
Authors:Casale, E, Papeo, G, Montagnoli, A.
Deposit date:2018-11-20
Release date:2019-05-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Stereospecific PARP-1 Inhibitor Isoindolinone NMS-P515.
Acs Med.Chem.Lett., 10, 2019
2X2I
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BU of 2x2i by Molmil
Crystal structure of the Gracilariopsis lemaneiformis alpha-1,4- glucan lyase with acarbose
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ALPHA-1,4-GLUCAN LYASE ISOZYME 1, GLYCEROL
Authors:Rozeboom, H.J, Yu, S, Madrid, S, Kalk, K.H, Dijkstra, B.W.
Deposit date:2010-01-13
Release date:2011-01-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Alpha-1,4-Glucan Lyase, a Unique Glycoside Hydrolase Family Member with a Novel Catalytic Mechanism.
J.Biol.Chem., 288, 2013
1HQS
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BU of 1hqs by Molmil
CRYSTAL STRUCTURE OF ISOCITRATE DEHYDROGENASE FROM BACILLUS SUBTILIS
Descriptor: CITRIC ACID, ISOCITRATE DEHYDROGENASE, R-1,2-PROPANEDIOL, ...
Authors:Singh, S.K, Matsuno, K, LaPorte, D.C, Banaszak, L.J.
Deposit date:2000-12-19
Release date:2001-07-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of Bacillus subtilis isocitrate dehydrogenase at 1.55 A. Insights into the nature of substrate specificity exhibited by Escherichia coli isocitrate dehydrogenase kinase/phosphatase.
J.Biol.Chem., 276, 2001
3BHI
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BU of 3bhi by Molmil
Crystal structure of human Carbonyl Reductase 1 in complex with NADP
Descriptor: CHLORIDE ION, Carbonyl reductase [NADPH] 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rauh, D, Bateman, R.L, Shokat, K.M.
Deposit date:2007-11-28
Release date:2008-10-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Human carbonyl reductase 1 is an s-nitrosoglutathione reductase
J.Biol.Chem., 283, 2008
6JNK
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BU of 6jnk by Molmil
Crystal structure of Azospirillum brasilense L-arabinose 1-dehydrogenase (NADP-bound form)
Descriptor: L-arabinose 1-dehydrogenase (NAD(P)(+)), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Watanabe, Y, Iga, C, Watanabe, S.
Deposit date:2019-03-16
Release date:2019-05-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into the catalytic and substrate recognition mechanisms of bacterial l-arabinose 1-dehydrogenase.
Febs Lett., 593, 2019
5B3S
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BU of 5b3s by Molmil
Bovine heart cytochrome c oxidase in the carbon monoxide-bound mixed-valence state at 1.68 angstrom resolution (50 K)
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Shimada, A, Shinzawa-Ito, K, Yoshikawa, S, Tsukihara, T.
Deposit date:2016-03-11
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Bovine heart cytochrome c oxidase in the carbon monoxide-bound mixed-valence state at 1.68 angstrom resolution (50 K)
To Be Published
7JHL
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BU of 7jhl by Molmil
Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with UDP-N-acetylglucosamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Hao, Y, Huang, X.
Deposit date:2020-07-20
Release date:2020-11-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structures and mechanism of human glycosyltransferase beta 1,3-N-acetylglucosaminyltransferase 2 (B3GNT2), an important player in immune homeostasis.
J.Biol.Chem., 296, 2020
5UJB
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BU of 5ujb by Molmil
Structure of a Mcl-1 Inhibitor Binding to Site 3 of Human Serum Albumin
Descriptor: 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, PHOSPHATE ION, Serum albumin
Authors:Zhao, B.
Deposit date:2017-01-17
Release date:2017-05-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of a Myeloid cell leukemia-1 (Mcl-1) inhibitor bound to drug site 3 of Human Serum Albumin.
Bioorg. Med. Chem., 25, 2017
3QM3
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BU of 3qm3 by Molmil
1.85 Angstrom Resolution Crystal Structure of Fructose-bisphosphate Aldolase (Fba) from Campylobacter jejuni
Descriptor: CHLORIDE ION, FORMIC ACID, Fructose-bisphosphate aldolase, ...
Authors:Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-02-03
Release date:2011-02-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:1.85 Angstrom Resolution Crystal Structure of Fructose-bisphosphate Aldolase (Fba) from Campylobacter jejuni
TO BE PUBLISHED
1O9J
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BU of 1o9j by Molmil
The X-ray crystal structure of eta-crystallin
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ALDEHYDE DEHYDROGENASE, ...
Authors:Purkiss, A.G, Van Montfort, R, Wistow, G, Slingsby, C.
Deposit date:2002-12-15
Release date:2003-04-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Eta-Crystallin: Adaptation of a Class 1 Aldehyde Dehydrogenase for a New Role in the Eye Lens
Biochemistry, 42, 2003
2BHQ
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BU of 2bhq by Molmil
Crystal Analysis of 1-Pyrroline-5-Carboxylate Dehydrogenase from Thermus with bound product glutamate.
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE, ...
Authors:Inagaki, E, Tahirov, T.H.
Deposit date:2005-01-16
Release date:2006-03-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of Thermus Thermophilus Delta(1)- Pyrroline-5-Carboxylate Dehydrogenase.
J.Mol.Biol., 362, 2006
7JHM
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BU of 7jhm by Molmil
Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with N-acetyl-lactosamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEXAETHYLENE GLYCOL, N-acetyllactosaminide beta-1,3-N-acetylglucosaminyltransferase 2, ...
Authors:Hao, Y, Huang, X.
Deposit date:2020-07-20
Release date:2020-11-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structures and mechanism of human glycosyltransferase beta 1,3-N-acetylglucosaminyltransferase 2 (B3GNT2), an important player in immune homeostasis.
J.Biol.Chem., 296, 2020
6AEL
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BU of 6ael by Molmil
Crystal structure of ENPP1 in complex with 3'3'-cGAMP
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, ...
Authors:Kato, K, Nishimasu, H, Hirano, S, Hirano, H, Ishitani, R, Nureki, O.
Deposit date:2018-08-05
Release date:2019-03-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into cGAMP degradation by Ecto-nucleotide pyrophosphatase phosphodiesterase 1.
Nat Commun, 9, 2018
1JKF
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BU of 1jkf by Molmil
Holo 1L-myo-inositol-1-phosphate Synthase
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, myo-inositol-1-phosphate synthase
Authors:Stein, A.J, Geiger, J.H.
Deposit date:2001-07-12
Release date:2002-04-10
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure and mechanism of 1-L-myo-inositol- 1-phosphate synthase
J.Biol.Chem., 277, 2002
1P1R
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BU of 1p1r by Molmil
Horse liver alcohol dehydrogenase complexed with NADH and R-N-1-methylhexylformamide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (R)-N-(1-METHYL-HEXYL)-FORMAMIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Venkataramaiah, T.H, Plapp, B.V.
Deposit date:2003-04-13
Release date:2003-07-15
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Formamides mimic aldehydes and inhibit liver alcohol dehydrogenases and ethanol metabolism
J.Biol.Chem., 278, 2003
6JNJ
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BU of 6jnj by Molmil
Crystal structure of Azospirillum brasilense L-arabinose 1-dehydrogenase (apo-form)
Descriptor: L-arabinose 1-dehydrogenase (NAD(P)(+)), PHOSPHATE ION
Authors:Watanabe, Y, Iga, C, Watanabe, S.
Deposit date:2019-03-16
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insights into the catalytic and substrate recognition mechanisms of bacterial l-arabinose 1-dehydrogenase.
Febs Lett., 593, 2019
4K57
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BU of 4k57 by Molmil
Structure of Thermus thermophilus 1-pyrroline-5-carboxylate dehydrogenase R100A mutant
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Delta-1-pyrroline-5-carboxylate dehydrogenase
Authors:Luo, M.L, Singh, R.K, Tanner, J.J.
Deposit date:2013-04-13
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.537 Å)
Cite:Structural determinants of oligomerization of delta (1)-pyrroline-5-carboxylate dehydrogenase: identification of a hexamerization hot spot.
J.Mol.Biol., 425, 2013
1I1X
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BU of 1i1x by Molmil
1.11 A ATOMIC RESOLUTION STRUCTURE OF A THERMOSTABLE XYLANASE FROM THERMOASCUS AURANTIACUS
Descriptor: ENDO-1,4-BETA-XYLANASE
Authors:Natesh, R, Ramakumar, S, Viswamitra, M.A.
Deposit date:2001-02-04
Release date:2003-01-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Thermostable xylanase from Thermoascus aurantiacus at ultrahigh resolution (0.89 A) at 100 K and atomic resolution (1.11 A) at 293 K refined anisotropically to small-molecule accuracy.
Acta Crystallogr.,Sect.D, 59, 2003
1QAS
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BU of 1qas by Molmil
1-PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE PHOSPHODIESTERASE DELTA 1
Descriptor: PHOSPHOLIPASE C DELTA-1
Authors:Grobler, J.A, Hurley, J.H.
Deposit date:1996-08-02
Release date:1997-02-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:C2 domain conformational changes in phospholipase C-delta 1.
Nat.Struct.Biol., 3, 1996
4HFR
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BU of 4hfr by Molmil
Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with an orally bioavailable acidic inhibitor AZD4017.
Descriptor: Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid
Authors:Ogg, D.J, Gerhardt, S, Hargreaves, D.
Deposit date:2012-10-05
Release date:2012-10-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Discovery of a Potent, Selective, and Orally Bioavailable Acidic 11 -Hydroxysteroid Dehydrogenase Type 1 (11 -HSD1) Inhibitor: Discovery of 2-[(3S)-1-[5-(Cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic Acid (AZD4017)
J.Med.Chem., 55, 2012
4AMX
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BU of 4amx by Molmil
CRYSTAL STRUCTURE OF THE GRACILARIOPSIS LEMANEIFORMIS ALPHA-1,4- GLUCAN LYASE Covalent Intermediate Complex with 5-fluoro-glucosyl- fluoride
Descriptor: 5-fluoro-beta-D-glucopyranose, ALPHA-1,4-GLUCAN LYASE ISOZYME 1, GLYCEROL, ...
Authors:Rozeboom, H.J, Yu, S, Madrid, S, Kalk, K.H, Dijkstra, B.W.
Deposit date:2012-03-14
Release date:2013-03-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Alpha-1,4-Glucan Lyase, a Unique Glycoside Hydrolase Family Member with a Novel Catalytic Mechanism.
J.Biol.Chem., 288, 2013
1RE9
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BU of 1re9 by Molmil
CRYSTAL STRUCTURE OF CYTOCHROME P450-CAM WITH A FLUORESCENT PROBE D-8-AD (ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE)
Descriptor: 1,2-ETHANEDIOL, ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE, Cytochrome P450-cam, ...
Authors:Hays, A.-M.A, Dunn, A.R, Gray, H.B, Stout, C.D, Goodin, D.B.
Deposit date:2003-11-06
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Conformational states of cytochrome P450cam revealed by trapping of synthetic molecular wires.
J.Mol.Biol., 344, 2004
1JFX
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BU of 1jfx by Molmil
Crystal structure of the bacterial lysozyme from Streptomyces coelicolor at 1.65 A resolution
Descriptor: 1,4-beta-N-Acetylmuramidase M1, CHLORIDE ION
Authors:Rau, A, Hogg, T, Marquardt, R, Hilgenfeld, R.
Deposit date:2001-06-22
Release date:2001-09-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A new lysozyme fold. Crystal structure of the muramidase from Streptomyces coelicolor at 1.65 A resolution.
J.Biol.Chem., 276, 2001
2FUR
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BU of 2fur by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE FMN-BINDING PROTEIN (TA1372) FROM THERMOPLASMA ACIDOPHILUM AT 1.80 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, hypothetical protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-01-27
Release date:2006-02-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of hypothetical protein 10640715 from Thermoplasma acidophilum at 1.80 A resolution
To be published

245663

數據於2025-12-03公開中

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