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2VS4
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BU of 2vs4 by Molmil
THE BINDING OF UDP-GALACTOSE BY AN ACTIVE SITE MUTANT OF alpha-1,3 GALACTOSYLTRANSFERASE (alpha3GT)
Descriptor: GLYCEROL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ...
Authors:Tumbale, P, Jamaluddin, H, Thiyagarajan, N, Brew, K, Acharya, K.R.
Deposit date:2008-04-18
Release date:2008-07-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural Basis of Udp-Galactose Binding by Alpha- 1,3-Galactosyltransferase (Alpha3Gt): Role of Negative Charge on Aspartic Acid 316 in Structure and Activity.
Biochemistry, 47, 2008
2VS5
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BU of 2vs5 by Molmil
THE BINDING OF UDP-GALACTOSE BY AN ACTIVE SITE MUTANT OF alpha-1,3 GALACTOSYLTRANSFERASE (alpha3GT)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GALACTOSE-URIDINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Tumbale, P, Jamaluddin, H, Thiyagarajan, N, Brew, K, Acharya, K.R.
Deposit date:2008-04-18
Release date:2008-07-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural Basis of Udp-Galactose Binding by Alpha- 1,3-Galactosyltransferase (Alpha3Gt): Role of Negative Charge on Aspartic Acid 316 in Structure and Activity.
Biochemistry, 47, 2008
5HDP
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BU of 5hdp by Molmil
Hydrolase StnA mutant - S185A
Descriptor: Hydrolase, methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylate
Authors:Qian, T.
Deposit date:2016-01-05
Release date:2017-01-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of StnA for the Biosynthesis of Antitumor Drug Streptonigrin Reveals a Unique Substrate Binding Mode
Sci Rep, 7, 2017
5HDF
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BU of 5hdf by Molmil
Hydrolase SeMet-StnA
Descriptor: Hydrolase
Authors:Qian, T.
Deposit date:2016-01-05
Release date:2017-01-11
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Crystal Structure of StnA for the Biosynthesis of Antitumor Drug Streptonigrin Reveals a Unique Substrate Binding Mode
Sci Rep, 7, 2017
1NBO
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BU of 1nbo by Molmil
The dual coenzyme specificity of photosynthetic glyceraldehyde-3-phosphate dehydrogenase interpreted by the crystal structure of A4 isoform complexed with NAD
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, glyceraldehyde-3-phosphate dehydrogenase A
Authors:Falini, G, Fermani, S, Ripamonti, A, Sabatino, P, Sparla, F, Pupillo, P, Trost, P.
Deposit date:2002-12-03
Release date:2003-05-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Dual Coenzyme Specificity of Photosynthetic Glyceraldehyde-3-phosphate Dehydrogenase Interpreted by the Crystal Structure of A(4) Isoform Complexed with NAD
Biochemistry, 42, 2003
5JHK
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BU of 5jhk by Molmil
X-ray structure of neuropilin-1 b1 domain complexed with Arg-6 ligand.
Descriptor: N-(benzenecarbonyl)glycyl-L-arginine, Neuropilin-1
Authors:Fotinou, C, Rana, R, Djordjevic, S, Yelland, T.
Deposit date:2016-04-21
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
5J1X
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BU of 5j1x by Molmil
X-ray structure of neuropilin-1 b1 domain complexed with Arg-5 ligand.
Descriptor: DIMETHYL SULFOXIDE, Neuropilin-1, N~2~-(tert-butoxycarbonyl)-L-arginine
Authors:Fotinou, C, Rana, R, Djordjevic, S, Yelland, T.
Deposit date:2016-03-29
Release date:2017-04-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
5KIT
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BU of 5kit by Molmil
Crystal Structure of Nicotinamide Phosphoribosyltransferase (Nampt) in Complex with Inhibitors 37
Descriptor: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, ...
Authors:Li, D, Wang, W.
Deposit date:2016-06-17
Release date:2016-08-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors.
J.Med.Chem., 59, 2016
5JGI
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BU of 5jgi by Molmil
X-ray structure of neuropilin-1 b1 domain complexed with M45 compound
Descriptor: N-ALPHA-L-ACETYL-ARGININE, Neuropilin-1
Authors:Fotinou, C, Rana, R, Djordjevic, S, Yelland, T.
Deposit date:2016-04-20
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
5JGQ
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BU of 5jgq by Molmil
X-ray structure of neuropilin-1 b1 domain complexed with Arg-7 ligand.
Descriptor: DIMETHYL SULFOXIDE, Neuropilin-1, N~2~-(benzenecarbonyl)-L-arginine
Authors:Fotinou, C, Rana, R, Djordjevic, S, Yelland, T.
Deposit date:2016-04-20
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
5IYY
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BU of 5iyy by Molmil
X-ray structure of neuropilin-1 b1 domain complexed with Arg-4 ligand.
Descriptor: Neuropilin-1, N~2~-[(benzyloxy)carbonyl]-L-arginine
Authors:Fotinou, C, Rana, R, Djordjevic, S, Yelland, T.
Deposit date:2016-03-24
Release date:2017-04-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
7P2O
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BU of 7p2o by Molmil
NMR solution structure of SUD-C domain of SARS-CoV-2
Descriptor: Non-structural protein 3
Authors:Gallo, A, Tsika, A.C, Fourkiotis, N.K, Spyroulias, G.A.
Deposit date:2021-07-06
Release date:2022-07-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:NMR solution structure of SUD-C domain of SARS-CoV-2
To Be Published
6LKN
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BU of 6lkn by Molmil
Crystal structure of ATP11C-CDC50A in PtdSer-bound E2P state
Descriptor: 1-deoxy-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ...
Authors:Abe, K, Irie, K, Nakanishi, H, Hasegawa, K.
Deposit date:2019-12-19
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Crystal structure of a human plasma membrane phospholipid flippase.
J.Biol.Chem., 295, 2020
6M9C
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BU of 6m9c by Molmil
PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR Pseudotyrostatin
Descriptor: ACETIC ACID, CALCIUM ION, Pseudotyrostatin, ...
Authors:Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K.
Deposit date:2018-08-23
Release date:2018-10-24
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase
Biochemistry, 40, 2001
5CF3
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BU of 5cf3 by Molmil
Crystal structures of Bbp from Staphylococcus aureus
Descriptor: Bone sialoprotein-binding protein, CALCIUM ION
Authors:Yu, Y, Zhang, X.Y, Gu, J.K.
Deposit date:2015-07-08
Release date:2015-09-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.031 Å)
Cite:Crystal structures of Bbp from Staphylococcus aureus reveal the ligand binding mechanism with Fibrinogen alpha
Protein Cell, 6, 2015
5CFA
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BU of 5cfa by Molmil
Crystal structures of Bbp from Staphylococcus aureus with peptide ligand
Descriptor: Bone sialoprotein-binding protein, MAGNESIUM ION, Peptide from Fibrinogen alpha chain
Authors:Yu, Y, Zhang, X.Y, Gu, J.K.
Deposit date:2015-07-08
Release date:2015-09-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structures of Bbp from Staphylococcus aureus reveal the ligand binding mechanism with Fibrinogen alpha
Protein Cell, 6, 2015
4AJB
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BU of 4ajb by Molmil
3D structure of E. coli Isocitrate Dehydrogenase K100M mutant in complex with Isocitrate, magnesium(II) and thioNADP
Descriptor: 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ISOCITRIC ACID, MAGNESIUM ION, ...
Authors:Goncalves, S, Miller, S.P, Carrondo, M.A, Dean, A.M, Matias, P.M.
Deposit date:2012-02-16
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Induced Fit and the Catalytic Mechanism of Isocitrate Dehydrogenase.
Biochemistry, 51, 2012
4AJS
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BU of 4ajs by Molmil
3D structure of E. coli Isocitrate Dehydrogenase K100M mutant in complex with isocitrate, magnesium(II), Adenosine 2',5'-biphosphate and ribosylnicotinamide-5'-phosphate
Descriptor: ADENOSINE-2'-5'-DIPHOSPHATE, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, ISOCITRATE DEHYDROGENASE [NADP], ...
Authors:Goncalves, S, Miller, S.P, Carrondo, M.A, Dean, A.M, Matias, P.M.
Deposit date:2012-02-17
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Induced Fit and the Catalytic Mechanism of Isocitrate Dehydrogenase.
Biochemistry, 51, 2012
4AJR
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BU of 4ajr by Molmil
3D structure of E. coli Isocitrate Dehydrogenase K100M mutant in complex with alpha-ketoglutarate, magnesium(II) and NADPH - The product complex
Descriptor: 2-OXOGLUTARIC ACID, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, ISOCITRATE DEHYDROGENASE [NADP], ...
Authors:Goncalves, S, Miller, S.P, Carrondo, M.A, Dean, A.M, Matias, P.M.
Deposit date:2012-02-17
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.687 Å)
Cite:Induced Fit and the Catalytic Mechanism of Isocitrate Dehydrogenase.
Biochemistry, 51, 2012
4AJC
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BU of 4ajc by Molmil
3D structure of E. coli Isocitrate Dehydrogenase K100M mutant in complex with alpha-ketoglutarate, calcium(II) and adenine nucleotide phosphate
Descriptor: 2-OXOGLUTARIC ACID, ADENOSINE-2'-5'-DIPHOSPHATE, CALCIUM ION, ...
Authors:Goncalves, S, Miller, S.P, Carrondo, M.A, Dean, A.M, Matias, P.M.
Deposit date:2012-02-16
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Induced Fit and the Catalytic Mechanism of Isocitrate Dehydrogenase.
Biochemistry, 51, 2012
4AJ3
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BU of 4aj3 by Molmil
3D structure of E. coli Isocitrate Dehydrogenase in complex with Isocitrate, calcium(II) and NADP - The pseudo-Michaelis complex
Descriptor: CALCIUM ION, ISOCITRIC ACID, NADP ISOCITRATE DEHYDROGENASE, ...
Authors:Goncalves, S, Miller, S.P, Carrondo, M.A, Dean, A.M, Matias, P.M.
Deposit date:2012-02-15
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Induced Fit and the Catalytic Mechanism of Isocitrate Dehydrogenase.
Biochemistry, 51, 2012
4AJA
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BU of 4aja by Molmil
3D structure of E. coli Isocitrate Dehydrogenase in complex with Isocitrate, calcium(II) and thioNADP
Descriptor: 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, CALCIUM ION, ISOCITRIC ACID, ...
Authors:Goncalves, S, Miller, S.P, Carrondo, M.A, Dean, A.M, Matias, P.M.
Deposit date:2012-02-16
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Induced Fit and the Catalytic Mechanism of Isocitrate Dehydrogenase.
Biochemistry, 51, 2012
5BUN
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BU of 5bun by Molmil
Crystal structure of an antigenic outer membrane protein ST50 from Salmonella Typhi
Descriptor: Outer membrane protein, octyl beta-D-glucopyranoside
Authors:Yoshimura, M, Chuankhayan, P, Lin, C.C, Chen, N.C, Yang, M.C, Fun, H.K.
Deposit date:2015-06-04
Release date:2015-12-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Crystal structure of an antigenic outer-membrane protein from Salmonella Typhi suggests a potential antigenic loop and an efflux mechanism.
Sci Rep, 5, 2015
4YLS
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BU of 4yls by Molmil
Tubulin Glutamylase
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tubulin polyglutamylase TTLL7
Authors:Garnham, C.P, Vemu, A, Wilson-Kubalek, E.M, Yu, I, Szyk, A, Lander, G.C, Milligan, R.A, Roll-Mecak, A.
Deposit date:2015-03-05
Release date:2015-06-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Multivalent Microtubule Recognition by Tubulin Tyrosine Ligase-like Family Glutamylases.
Cell, 161, 2015
4YLR
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BU of 4ylr by Molmil
Tubulin Glutamylase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Tubulin polyglutamylase TTLL7
Authors:Garnham, C.P, Vemu, A, Wilson-Kubalek, E.M, Yu, I, Szyk, A, Lander, G.C, Milligan, R.A, Roll-Mecak, A.
Deposit date:2015-03-05
Release date:2015-06-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Multivalent Microtubule Recognition by Tubulin Tyrosine Ligase-like Family Glutamylases.
Cell, 161, 2015

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