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4KZB
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BU of 4kzb by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 50 (N-(methylsulfonyl)-N-phenyl-alanine)
Descriptor: Beta-lactamase, N-(methylsulfonyl)-N-phenyl-D-alanine, N-(methylsulfonyl)-N-phenyl-L-alanine
Authors:Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
Deposit date:2013-05-29
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZ8
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BU of 4kz8 by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 20 (1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione)
Descriptor: 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
Deposit date:2013-05-29
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.282 Å)
Cite:Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZ4
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BU of 4kz4 by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 60 (2-[(propylsulfonyl)amino]benzoic acid)
Descriptor: 2-[(propylsulfonyl)amino]benzoic acid, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
Deposit date:2013-05-29
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4ONR
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BU of 4onr by Molmil
Crystal structure of Borrelia burgdorferi decorin-binding protein DbpA
Descriptor: DECORIN-BINDING PROTEIN DbpA, NICKEL (II) ION
Authors:Tomchick, D.R, Deka, R.K, Blevins, J.S.
Deposit date:2014-01-28
Release date:2014-07-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of Lysine Residues in the Borrelia burgdorferi DbpA Adhesin Required for Murine Infection.
Infect.Immun., 82, 2014
4PBD
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BU of 4pbd by Molmil
Crystal structure of the N-terminal CS domain of human Shq1
Descriptor: Protein SHQ1 homolog
Authors:Singh, M, Wang, Z, Cascio, D, Feigon, J.
Deposit date:2014-04-12
Release date:2015-01-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure and Interactions of the CS Domain of Human H/ACA RNP Assembly Protein Shq1.
J.Mol.Biol., 427, 2015
5NS4
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BU of 5ns4 by Molmil
Crystal structures of Cy3 cyanine fluorophores stacked onto the end of double-stranded RNA
Descriptor: 3-[(2~{Z})-2-[(~{E})-3-[3,3-dimethyl-1-(3-oxidanylpropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indol-1-yl]propan-1-ol, 50S ribosomal protein L5, MAGNESIUM ION, ...
Authors:Liu, Y.J, Lilley, D.M.J.
Deposit date:2017-04-25
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of Cyanine Fluorophores Stacked onto the End of Double-Stranded RNA.
Biophys. J., 113, 2017
5NS3
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BU of 5ns3 by Molmil
Crystal structures of Cy5 cyanine fluorophores stacked onto the end of double-stranded RNA
Descriptor: 50S ribosomal protein L5, double-stranded RNA
Authors:Liu, Y.J, Lilley, D.M.J.
Deposit date:2017-04-25
Release date:2017-12-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of Cyanine Fluorophores Stacked onto the End of Double-Stranded RNA.
Biophys. J., 113, 2017
4Y0G
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BU of 4y0g by Molmil
beta2 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK)
Descriptor: 5'-AMP-activated protein kinase subunit beta-2, GLYCEROL
Authors:Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M.
Deposit date:2015-02-06
Release date:2015-04-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase.
Biochem.J., 468, 2015
4YEF
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BU of 4yef by Molmil
beta1 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK) in complex with glucosyl-beta-cyclododextrin
Descriptor: 5'-AMP-activated protein kinase subunit beta-1, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, ...
Authors:Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M.
Deposit date:2015-02-24
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase.
Biochem.J., 468, 2015
4YEE
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BU of 4yee by Molmil
beta2 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK) in complex with glucosyl-beta-cyclodextrin
Descriptor: 5'-AMP-activated protein kinase subunit beta-2, Cyclic alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-[alpha-D-glucopyranose-(1-6)]alpha-D-glucopyranose, GLYCEROL
Authors:Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M.
Deposit date:2015-02-24
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase.
Biochem.J., 468, 2015
8WO8
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BU of 8wo8 by Molmil
Crystal Structure of an RNA-binding protein, FAU-1, from Pyrococcus furiosus
Descriptor: Probable ribonuclease FAU-1, RNA (5'-R(P*AP*UP*A)-3')
Authors:Kawai, G, Okada, K, Baba, S, Sato, A, Sakamoto, T, Kanai, A.
Deposit date:2023-10-06
Release date:2024-02-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Homo-trimeric structure of the ribonuclease for rRNA processing, FAU-1, from Pyrococcus furiosus.
J.Biochem., 175, 2024
3F1P
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BU of 3f1p by Molmil
Crystal structure of a high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Scheuermann, T.H, Tomchick, D.R, Machius, M, Guo, Y, Bruick, R.K, Gardner, K.H.
Deposit date:2008-10-28
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Artificial ligand binding within the HIF2alpha PAS-B domain of the HIF2 transcription factor.
Proc.Natl.Acad.Sci.USA, 106, 2009
3F1O
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BU of 3f1o by Molmil
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains, with an internally-bound artificial ligand
Descriptor: 1,2-ETHANEDIOL, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, ...
Authors:Scheuermann, T.H, Tomchick, D.R, Machius, M, Guo, Y, Bruick, R.K, Gardner, K.H.
Deposit date:2008-10-28
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Artificial ligand binding within the HIF2alpha PAS-B domain of the HIF2 transcription factor.
Proc.Natl.Acad.Sci.USA, 106, 2009
3F1N
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BU of 3f1n by Molmil
Crystal structure of a high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains, with internally bound ethylene glycol.
Descriptor: 1,2-ETHANEDIOL, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Scheuermann, T.H, Tomchick, D.R, Machius, M, Guo, Y, Bruick, R.K, Gardner, K.H.
Deposit date:2008-10-28
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.479 Å)
Cite:Artificial ligand binding within the HIF2alpha PAS-B domain of the HIF2 transcription factor.
Proc.Natl.Acad.Sci.USA, 106, 2009
4PXA
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BU of 4pxa by Molmil
DEAD-box RNA helicase DDX3X Cancer-associated mutant D354V
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DDX3X, PHOSPHATE ION
Authors:Epling, L.B, Grace, C.R, Lowe, B.R, Partridge, J.F, Enemark, E.J.
Deposit date:2014-03-22
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Cancer-Associated Mutants of RNA Helicase DDX3X Are Defective in RNA-Stimulated ATP Hydrolysis.
J.Mol.Biol., 427, 2015
4PX9
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BU of 4px9 by Molmil
DEAD-box RNA helicase DDX3X Domain 1 with N-terminal ATP-binding Loop
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DDX3X
Authors:Epling, L.B, Grace, C.R, Lowe, B.R, Partridge, J.F, Enemark, E.J.
Deposit date:2014-03-22
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Cancer-Associated Mutants of RNA Helicase DDX3X Are Defective in RNA-Stimulated ATP Hydrolysis.
J.Mol.Biol., 427, 2015
4QFQ
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BU of 4qfq by Molmil
Crystal structure of natvie Npu DnaE split intein
Descriptor: DNA polymerase III, alpha subunit, Nucleic acid binding, ...
Authors:Lee, Y.Z, Kuo, J.H, Sue, S.C.
Deposit date:2014-05-21
Release date:2015-05-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.035 Å)
Cite:Crystal structure of natvie Npu DnaE split intein
TO BE PUBLISHED
4R71
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BU of 4r71 by Molmil
Structure of the Qbeta holoenzyme complex in the P1211 crystal form
Descriptor: 30S ribosomal protein S1, Elongation factor Ts, Elongation factor Tu, ...
Authors:Gytz, H, Seweryn, P, Kutlubaeva, Z, Chetverin, A.B, Brodersen, D.E, Knudsen, C.R.
Deposit date:2014-08-26
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural basis for RNA-genome recognition during bacteriophage Q beta replication.
Nucleic Acids Res., 43, 2015
4R0E
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BU of 4r0e by Molmil
Crystal Structure of the Poliovirus RNA-Dependent RNA Polymerase Low-Fidelity Mutant 3Dpol H273R
Descriptor: RNA-directed RNA polymerase
Authors:Marcotte, L.L, Gohara, D.W, Filman, D.J, Hogle, J.M.
Deposit date:2014-07-30
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Dynamics as a Contributor to Error-prone Replication by an RNA-dependent RNA Polymerase.
J.Biol.Chem., 289, 2014
5OJZ
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BU of 5ojz by Molmil
D10N variant of beta-phosphoglucomutase from Lactococcus lactis inhibited by a beryllium triflouride phosphoenzyme analogue to 1.3A resolution.
Descriptor: 1,2-ETHANEDIOL, BERYLLIUM TRIFLUORIDE ION, Beta-phosphoglucomutase, ...
Authors:Robertson, A.J, Bisson, C.
Deposit date:2017-07-25
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
5OF1
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BU of 5of1 by Molmil
The structural versatility of TasA in B. subtilis biofilm formation
Descriptor: 2-HYDROXYBENZOIC ACID, Spore coat-associated protein N, ethane-1,2-diol
Authors:Roske, Y, Diehl, A, Ball, L, Chowdhury, A, Hiller, M, Moliere, N, Kramer, R, Nagaraj, M, Stoeppler, D, Worth, C.L, Schlegel, B, Leidert, M, Cremer, N, Eisenmenger, F, Lopez, D, Schmieder, P, Heinemann, U, Turgay, K, Akbey, U, Oschkinat, H.
Deposit date:2017-07-10
Release date:2018-03-21
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural changes of TasA in biofilm formation ofBacillus subtilis.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OK2
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BU of 5ok2 by Molmil
Structure of the D10N mutant of beta-phosphoglucomutase from Lactococcus lactis inhibited with glucose 6-phosphate and tetrafluoroaluminate to 1.1A resolution.
Descriptor: 1,2-ETHANEDIOL, 6-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, ...
Authors:Robertson, A.J, Bisson, C.
Deposit date:2017-07-25
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
5OF2
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BU of 5of2 by Molmil
The structural versatility of TasA in B. subtilis biofilm formation
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Spore coat-associated protein N
Authors:Roske, Y, Diehl, A, Ball, L, Chowdhury, A, Hiller, M, Moliere, N, Kramer, R, Nagaraj, M, Stoeppler, D, Worth, C.L, Schlegel, B, Leidert, M, Cremer, N, Eisenmenger, F, Lopez, D, Schmieder, P, Heinemann, U, Turgay, K, Akbey, U, Oschkinat, H.
Deposit date:2017-07-10
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural changes of TasA in biofilm formation ofBacillus subtilis.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OK1
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BU of 5ok1 by Molmil
D10N variant of beta-phosphoglucomutase from Lactococcus lactis trapped with native beta-glucose 1,6-bisphosphate intermediate to 1.9A resolution.
Descriptor: 1,6-di-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION
Authors:Robertson, A.J, Bisson, C.
Deposit date:2017-07-25
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
5DND
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BU of 5dnd by Molmil
Crystal structure of the Asn-bound guinea pig L-asparaginase 1 catalytic domain active site mutant T116A
Descriptor: 1,2-ETHANEDIOL, ASPARAGINE, L-asparaginase
Authors:Schalk, A.M, Lavie, A.
Deposit date:2015-09-09
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Experimental Data in Support of a Direct Displacement Mechanism for Type I/II l-Asparaginases.
J.Biol.Chem., 291, 2016

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