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8SXY
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BU of 8sxy by Molmil
X-ray crystal structure of UDP- 2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase from Thermus thermophilus strain HB27 in complex with its product UDP-2,3-diacetamido-2,3-dideoxy-d-mannuronic acid at pH 5
Descriptor: (2~{S},3~{S},4~{R},5~{S},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid, CHLORIDE ION, UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase
Authors:McKnight, J.O, Thoden, J.B, Holden, H.M.
Deposit date:2023-05-24
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of a bacterial UDP-sugar 2-epimerase reveals the active site architecture before and after catalysis.
J.Biol.Chem., 299, 2023
8SY9
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BU of 8sy9 by Molmil
X-ray crystal structure of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase from Thermus thermophilus strain HB27, D98N variant in the presence of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid, UDP-N-acetylglucosamine and UDP at pH 7
Descriptor: (2~{S},3~{S},4~{R},5~{R},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid, UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase, URIDINE-5'-DIPHOSPHATE, ...
Authors:Thoden, J.B, Holden, H.M.
Deposit date:2023-05-25
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of a bacterial UDP-sugar 2-epimerase reveals the active site architecture before and after catalysis.
J.Biol.Chem., 299, 2023
8SYD
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BU of 8syd by Molmil
X-ray crystal structure of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase from Thermus thermophilus strain HB27, D98N variant in the presence of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid and UDP-N-acetylglucosamine at pH 6
Descriptor: (2~{S},3~{S},4~{R},5~{R},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid, CHLORIDE ION, UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase, ...
Authors:Kroft, C.W, Thoden, J.B, Holden, H.M.
Deposit date:2023-05-25
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of a bacterial UDP-sugar 2-epimerase reveals the active site architecture before and after catalysis.
J.Biol.Chem., 299, 2023
8SYE
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BU of 8sye by Molmil
X-ray crystal structure of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase from Thermus thermophilus strain HB27, D98N variant in the presence of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid and UDP at pH 6
Descriptor: (2~{S},3~{S},4~{R},5~{R},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid, CHLORIDE ION, UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase, ...
Authors:Jast, J.D.T, Thoden, J.B, Holden, H.M.
Deposit date:2023-05-25
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of a bacterial UDP-sugar 2-epimerase reveals the active site architecture before and after catalysis.
J.Biol.Chem., 299, 2023
8SXV
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BU of 8sxv by Molmil
X-ray crystal structure of UDP- 2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase from Thermus thermophilus strain HB27, apo form, pH 9
Descriptor: CHLORIDE ION, UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase
Authors:McKnight, J.O, Thoden, J.B, Holden, H.M.
Deposit date:2023-05-24
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analysis of a bacterial UDP-sugar 2-epimerase reveals the active site architecture before and after catalysis.
J.Biol.Chem., 299, 2023
8SYH
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BU of 8syh by Molmil
X-ray crystal structure of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase from Thermus thermophilus strain HB27, D98N variant in the presence of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid and UDP at pH 8
Descriptor: (2~{S},3~{S},4~{R},5~{R},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid, CHLORIDE ION, UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase, ...
Authors:Jast, J.D.T, Thoden, J.B, Holden, H.M.
Deposit date:2023-05-25
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of a bacterial UDP-sugar 2-epimerase reveals the active site architecture before and after catalysis.
J.Biol.Chem., 299, 2023
6DCF
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BU of 6dcf by Molmil
Crystal structure of a Mycobacterium smegmatis transcription initiation complex with Rifampicin-resistant RNA polymerase and bound to kanglemycin A
Descriptor: 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ...
Authors:Lilic, M, Darst, S.A, Campbell, E.A.
Deposit date:2018-05-06
Release date:2018-09-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Rifamycin congeners kanglemycins are active against rifampicin-resistant bacteria via a distinct mechanism.
Nat Commun, 9, 2018
8SYB
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BU of 8syb by Molmil
X-ray crystal structure of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase from Thermus thermophilus strain HB27, D98N variant in the presence of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid and UDP-N-acetylglucosamine at pH 9
Descriptor: (2~{S},3~{S},4~{R},5~{R},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid, CHLORIDE ION, SODIUM ION, ...
Authors:Kroft, C.W, Thoden, J.B, Holden, H.M.
Deposit date:2023-05-25
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of a bacterial UDP-sugar 2-epimerase reveals the active site architecture before and after catalysis.
J.Biol.Chem., 299, 2023
9BR7
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BU of 9br7 by Molmil
Crystal structure of human succinyl-CoA:glutarate-CoA transferase (SUGCT) in complex with Losartan carboxylic acid
Descriptor: AMMONIUM ION, SULFATE ION, Succinate--hydroxymethylglutarate CoA-transferase, ...
Authors:Wu, R, Lazarus, M.B.
Deposit date:2024-05-10
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Characterization, Structure, and Inhibition of the Human Succinyl-CoA:glutarate-CoA Transferase, a Putative Genetic Modifier of Glutaric Aciduria Type 1.
Acs Chem.Biol., 19, 2024
6DCY
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BU of 6dcy by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid
Descriptor: 5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Dick, B.L, Morrison, C.N, Cohen, S.M.
Deposit date:2018-05-08
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease.
J. Med. Chem., 61, 2018
9ATK
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BU of 9atk by Molmil
BIFUNCTIONAL INHIBITION OF NEUTROPHIL ELASTASE AND CATHEPSIN G by Eap4 of S. aureus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin-G, ...
Authors:Mishra, N.B, Herdendorf, T.J, Geisbrecht, B.V.
Deposit date:2024-02-27
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Bifunctional Inhibition of Neutrophil Elastase and Cathepsin-G by Eap4 from S. aureus
To Be Published
9ASX
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BU of 9asx by Molmil
BIFUNCTIONAL INHIBITION OF NEUTROPHIL ELASTASE AND CATHEPSIN G by Eap3 of S. aureus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin-G, ...
Authors:Mishra, N.B, Herdendorf, T.J, Geisbrecht, B.V.
Deposit date:2024-02-26
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Bifunctional Inhibition of Neutrophil Elastase and Cathepsin-G by Eap4 from S. aureus
To Be Published
9ATU
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BU of 9atu by Molmil
Bifunctional Inhibition of Neutrophil Elastase by Eap4 from S. aureus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular Adherence Protein, Neutrophil elastase, ...
Authors:Mishra, N.B, Herdendorf, T.J, Geisbrecht, B.V.
Deposit date:2024-02-27
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Bifunctional Inhibition of Neutrophil Elastase by Eap4 from S. aureus
To Be Published
7BHD
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BU of 7bhd by Molmil
FimH in complex with alpha1,6 core-fucosylated oligomannose-3, crystallized in the trigonal space group
Descriptor: NICKEL (II) ION, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin, ...
Authors:Bridot, C, Bouckaert, J, Krammer, E.-M.
Deposit date:2021-01-11
Release date:2022-07-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors.
J.Biol.Chem., 299, 2023
2LK0
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BU of 2lk0 by Molmil
Solution structure and binding studies of the RanBP2-type zinc finger of RBM5
Descriptor: RNA-binding protein 5, ZINC ION
Authors:Farina, B, Pellecchia, M.
Deposit date:2011-09-30
Release date:2011-12-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Targeting Zinc Finger Domains with Small Molecules: Solution Structure and Binding Studies of the RanBP2-Type Zinc Finger of RBM5.
Chembiochem, 12, 2011
6D9W
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BU of 6d9w by Molmil
Crystal structure of Deinococcus radiodurans MntH, an Nramp-family transition metal transporter, in the inward-open apo state
Descriptor: Divalent metal cation transporter MntH, Fab Heavy Chain, Fab Light Chain, ...
Authors:Gaudet, R, Bane, L.B, Weihofen, W.A, Singharoy, A, Zimanyi, C.M, Bozzi, A.T.
Deposit date:2018-04-30
Release date:2019-02-13
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (3.941 Å)
Cite:Structures in multiple conformations reveal distinct transition metal and proton pathways in an Nramp transporter.
Elife, 8, 2019
2L02
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BU of 2l02 by Molmil
Solution NMR Structure of protein BT2368 from Bacteroides thetaiotaomicron, Northeast Structural Genomics Consortium Target BtR375
Descriptor: Uncharacterized protein
Authors:Eletsky, A, Lee, H, Wang, D, Ciccosanti, C, Hamilton, K, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-06-29
Release date:2010-08-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of protein BT2368 from Bacteroides thetaiotaomicron
To be Published
2LGL
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BU of 2lgl by Molmil
NMR structure of the UHRF1 PHD domain
Descriptor: E3 ubiquitin-protein ligase UHRF1, ZINC ION
Authors:Wang, C, Shen, J, Yang, Z, Chen, P, Zhao, B, Hu, W, Lan, W, Tong, X, Wu, H, Li, G, Cao, C.
Deposit date:2011-07-28
Release date:2011-09-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger.
Cell Res., 21, 2011
6DI3
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BU of 6di3 by Molmil
CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND
Descriptor: 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, Tyrosine-protein kinase BTK
Authors:GARDBERG, A.
Deposit date:2018-05-22
Release date:2018-09-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.
Bioorg. Med. Chem. Lett., 28, 2018
2LLP
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BU of 2llp by Molmil
Solution structure of a THP type 1 alpha 1 collagen fragment (772-786)
Descriptor: Collagen alpha-1(I) chain
Authors:Bertini, I, Fragai, M, Luchinat, C, Melikian, M, Toccafondi, M, Lauer, J.L, Fields, G.B, Structural Proteomics in Europe 2 (SPINE-2)
Deposit date:2011-11-15
Release date:2012-05-30
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis for matrix metalloproteinase 1-catalyzed collagenolysis.
J.Am.Chem.Soc., 134, 2012
6DAN
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BU of 6dan by Molmil
PhdJ WT 2 Angstroms resolution
Descriptor: CHLORIDE ION, PhdJ
Authors:Medellin, B.P, LeVieux, J.A, Zhang, Y.J, Whitman, C.P.
Deposit date:2018-05-01
Release date:2019-04-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:Structural Characterization of the Hydratase-Aldolases, NahE and PhdJ: Implications for the Specificity, Catalysis, and N-Acetylneuraminate Lyase Subgroup of the Aldolase Superfamily.
Biochemistry, 57, 2018
2M3U
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BU of 2m3u by Molmil
Solution-state NMR structure of cataract-related human gamma(S)-crystallin point variant G18V
Descriptor: Beta-crystallin S
Authors:Brubaker, W.D, Martin, R.W.
Deposit date:2013-01-25
Release date:2013-11-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Preferential and Specific Binding of Human alpha B-Crystallin to a Cataract-Related Variant of gamma S-Crystallin.
Structure, 21, 2013
2M5P
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BU of 2m5p by Molmil
Solution structure of lipidated glucagon analog in water
Descriptor: GAMMA-L-GLUTAMIC ACID, Glucagon, PALMITIC ACID
Authors:Ward, B.P, Ma, D.
Deposit date:2013-03-03
Release date:2013-03-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural Changes Associated with Peptide Lipidation Broaden Biological Function
To be Published
2M9P
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BU of 2m9p by Molmil
NMR structure of an inhibitor bound dengue NS3 protease
Descriptor: Serine protease inhibitor, Serine protease subunit NS2B, Serine protease NS3
Authors:Gibbs, A, Tounge, B, Steele, R.
Deposit date:2013-06-18
Release date:2014-07-09
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:NMR structure of an inhibitor bound dengue NS3 protease provides new insights into the NS2B NS3 ligand interactions
To be Published
8SVC
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BU of 8svc by Molmil
Crystal Structure of SBP from Klebsiella pneumoniae
Descriptor: Metal ABC transporter substrate-binding protein, SULFATE ION, ZINC ION
Authors:Giles, M.W, Cole, G.B, Ng, D, McDevitt, C.A, Moraes, T.F.
Deposit date:2023-05-16
Release date:2024-01-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Zinc acquisition and its contribution to Klebsiella pneumoniae virulence.
Front Cell Infect Microbiol, 13, 2023

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