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5WN8
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BU of 5wn8 by Molmil
Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1
Descriptor: Indoleamine 2,3-dioxygenase 1, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lewis-Ballester, A, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L, Yeh, S.R.
Deposit date:2017-07-31
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
4Z08
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BU of 4z08 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 KE07 design
Descriptor: de novo designed kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-03-25
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 KE07 design
To Be Published
5WO3
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BU of 5wo3 by Molmil
Chaperone Spy bound to Im7 (Im7 un-modeled)
Descriptor: CHLORIDE ION, IMIDAZOLE, Periplasmic chaperone Spy, ...
Authors:Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A.
Deposit date:2017-08-01
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
5WOP
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BU of 5wop by Molmil
High Resolution Structure of Mutant CA09-PB2cap
Descriptor: GLYCEROL, Polymerase PB2
Authors:Constantinides, A.E, Gumpper, R.H, Severin, C, Luo, M.
Deposit date:2017-08-02
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:High-resolution structure of the Influenza A virus PB2cap binding domain illuminates the changes induced by ligand binding.
Acta Crystallogr F Struct Biol Commun, 74, 2018
5WPJ
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BU of 5wpj by Molmil
Structure of the class II 3-hydroxy-3-methylglutaryl-CoA reductase from Streptococcus pneumoniae bound to NADPH in open conformations
Descriptor: 3-hydroxy-3-methylglutaryl coenzyme A reductase, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Miller, B.R, Kung, Y.
Deposit date:2017-08-04
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Features and Domain Movements Controlling Substrate Binding and Cofactor Specificity in Class II HMG-CoA Reductase.
Biochemistry, 57, 2018
5WZT
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BU of 5wzt by Molmil
Crystal structure of human secreted phospholipase A2 group IIE with Compound 14
Descriptor: 2-[1-[(3-bromophenyl)methyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Hou, S, Xu, J, Xu, T, Liu, J.
Deposit date:2017-01-18
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE
Sci Rep, 7, 2017
5X1N
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BU of 5x1n by Molmil
Vanillate/3-O-methylgallate O-demethylase, LigM, protocatechuate-tetrahydrofolate complex form
Descriptor: (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Harada, A, Senda, T.
Deposit date:2017-01-26
Release date:2017-05-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6
FEBS J., 284, 2017
5W9S
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BU of 5w9s by Molmil
Zinc finger of human CXXC5 in complex with CpG DNA
Descriptor: CXXC-type zinc finger protein 5, CpG DNA fragment, SULFATE ION, ...
Authors:Liu, K, Xu, C, Tempel, W, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-06-23
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
5W8X
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BU of 5w8x by Molmil
Lipid A Disaccharide Synthase (LpxB)-7 solubilizing mutations-Bound to UDP
Descriptor: Lipid-A-disaccharide synthase, URIDINE-5'-DIPHOSPHATE
Authors:Bohl, T.E, Aihara, H, Shi, K, Lee, J.K.
Deposit date:2017-06-22
Release date:2018-01-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal structure of lipid A disaccharide synthase LpxB from Escherichia coli.
Nat Commun, 9, 2018
4Z3A
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BU of 4z3a by Molmil
Acetate-free structure of the enzyme-product complex resulting from TDG action on a GU mismatch
Descriptor: DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase
Authors:Pozharski, E, Malik, S.S, Drohat, A.C.
Deposit date:2015-03-31
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA.
Nucleic Acids Res., 43, 2015
5WA9
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BU of 5wa9 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside D-Ala phosphoramidate substrate complex
Descriptor: CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~{R})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2017-06-26
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
4ZFL
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BU of 4zfl by Molmil
Ergothioneine-biosynthetic Ntn hydrolase variant EgtC_C2A with natural substrate
Descriptor: (1S)-1-carboxy-4-({(1R)-1-carboxy-2-[(S)-{4-[(2S)-2-carboxy-2-(trimethylammonio)ethyl]-1H-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium, Amidohydrolase EgtC, GLYCEROL
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2015-04-21
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC.
Chembiochem, 16, 2015
4ZH7
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BU of 4zh7 by Molmil
Structural basis of Lewisb antigen binding by the Helicobacter pylori adhesin BabA
Descriptor: Outer membrane protein-adhesin, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose
Authors:Howard, T, Hage, N, Phillips, C, Brassington, C.A, Debreczeni, J, Overman, R, Gellert, P, Stolnik, S, Winkler, G.S, Falcone, F.H.
Deposit date:2015-04-24
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis of Lewis(b) antigen binding by the Helicobacter pylori adhesin BabA.
Sci Adv, 1, 2015
4ZHO
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BU of 4zho by Molmil
The crystal structure of Arabidopsis ferredoxin 2 with 2Fe-2S cluster
Descriptor: CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin-2, ...
Authors:Grinter, R, Josts, I, Roszak, A.W, Cogdell, R.J, Walker, D.
Deposit date:2015-04-26
Release date:2016-08-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure of the bacterial plant-ferredoxin receptor FusA.
Nat Commun, 7, 2016
5ZEE
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BU of 5zee by Molmil
Crystal structure of Entamoeba histolytica Arginase in complex with N(omega)-hydroxy-L-arginine (NOHA) at 1.74 A
Descriptor: 1,2-ETHANEDIOL, Arginase, MANGANESE (II) ION, ...
Authors:Malik, A, Dalal, V, Ankri, S, Tomar, S.
Deposit date:2018-02-27
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural insights into Entamoeba histolytica arginase and structure-based identification of novel non-amino acid based inhibitors as potential antiamoebic molecules.
Febs J., 286, 2019
5ZA4
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BU of 5za4 by Molmil
Crystal structure of Sialic acid Binding protein from Haemophilus ducreyi
Descriptor: Putative ABC transporter periplasmic binding protein
Authors:Setty, T.G, Subramanian, R.
Deposit date:2018-02-06
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.193 Å)
Cite:Molecular characterization of the interaction of sialic acid with the periplasmic binding protein fromHaemophilus ducreyi.
J. Biol. Chem., 293, 2018
5ZAX
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BU of 5zax by Molmil
Crystal structure of thymidylate kinase in complex with ADP, TDP and TMP from thermus thermophilus HB8
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
Deposit date:2018-02-09
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Insights into product release dynamics through structural analyses of thymidylate kinase.
Int. J. Biol. Macromol., 123, 2018
5ZIB
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BU of 5zib by Molmil
Crystal structure of human GnT-V luminal domain in apo form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A
Authors:Nagae, M, Yamaguchi, Y.
Deposit date:2018-03-14
Release date:2018-08-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and mechanism of cancer-associated N-acetylglucosaminyltransferase-V.
Nat Commun, 9, 2018
5ZJM
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BU of 5zjm by Molmil
Crystal structure of N-acetylneuraminate lyase from Fusobacterium nucleatum
Descriptor: 1,2-ETHANEDIOL, N-acetylneuraminate lyase
Authors:Kumar, J.P, Rao, H, Nayak, V, Subramanian, R.
Deposit date:2018-03-21
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.323 Å)
Cite:Crystal structures and kinetics of N-acetylneuraminate lyase from Fusobacterium nucleatum
Acta Crystallogr F Struct Biol Commun, 74, 2018
4ZQT
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BU of 4zqt by Molmil
Crystal structure of PfA-M1 with virtual ligand inhibitor
Descriptor: (2R)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid, GLYCEROL, M1 family aminopeptidase, ...
Authors:Ruggeri, C, Drinkwater, N, McGowan, S.
Deposit date:2015-05-11
Release date:2015-10-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Identification and Validation of a Potent Dual Inhibitor of the P. falciparum M1 and M17 Aminopeptidases Using Virtual Screening.
Plos One, 10, 2015
5ZKA
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BU of 5zka by Molmil
Crystal structure of N-acetylneuraminate lyase from Fusobacterium nucleatum complexed with Pyruvate
Descriptor: 1,2-ETHANEDIOL, N-acetylneuraminate lyase, TRIETHYLENE GLYCOL
Authors:Kumar, J.P, Rao, H, Nayak, V, Ramaswamy, S.
Deposit date:2018-03-23
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structures and kinetics of N-acetylneuraminate lyase from Fusobacterium nucleatum
Acta Crystallogr F Struct Biol Commun, 74, 2018
5ZKT
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BU of 5zkt by Molmil
Crystal structure of TCP domain of PCF6 in Oryza sativa
Descriptor: Putative transcription factor PCF6
Authors:Sun, L.F, Zou, X.M, Wu, Y.K.
Deposit date:2018-03-26
Release date:2019-03-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of TCP domain of PCF6 in Oryza sativa
To be published
4ZIO
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BU of 4zio by Molmil
Irradiated state of mCherry143azF
Descriptor: SULFATE ION, mCherry
Authors:Reddington, S.C, Driezis, S, Hartley, A.M, Watson, P.D, Rizkallah, P.J, Jones, D.D.
Deposit date:2015-04-28
Release date:2015-09-16
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Genetically encoded phenyl azide photochemistry drives positive and negative functional modulation of a red fluorescent protein
Rsc Adv, 5, 2015
5ZOK
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BU of 5zok by Molmil
Crystal structure of human SMAD1-MAN1 complex.
Descriptor: Inner nuclear membrane protein Man1, Mothers against decapentaplegic homolog 1
Authors:Miyazono, K, Ito, T, Tanokura, M.
Deposit date:2018-04-13
Release date:2018-10-17
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis for receptor-regulated SMAD recognition by MAN1
Nucleic Acids Res., 46, 2018
4ZKV
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BU of 4zkv by Molmil
Crystal structure of human histidine triad nucleotide-binding protein 1 (hHINT1) refined to 1.92A at P21 space group
Descriptor: Histidine triad nucleotide-binding protein 1, SULFATE ION
Authors:Dolot, R.M, Seda, A, Nawrot, B.
Deposit date:2015-04-30
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystallographic studies of the complex of human HINT1 protein with a non-hydrolyzable analog of Ap4A.
Int.J.Biol.Macromol., 87, 2016

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数据于2024-07-17公开中

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