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6EMA
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BU of 6ema by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, beta-D-ribopyranose, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-10-01
Release date:2018-10-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
1WO5
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BU of 1wo5 by Molmil
Solution structure of Designed Functional Finger 2 (DFF2): Designed mutant based on non-native CHANCE domain
Descriptor: CREB Binding Protein, ZINC ION
Authors:Sharpe, B.K, Liew, C.K, Wilce, J.A, Crossley, M, Matthews, J.M, Mackay, J.P.
Deposit date:2004-08-12
Release date:2005-03-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Assessment of the robustness of a serendipitous zinc binding fold: mutagenesis and protein grafting
Structure, 13, 2005
6ERT
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BU of 6ert by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp193 and RKp117
Descriptor: [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-10-19
Release date:2018-10-31
Last modified:2019-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6ERV
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BU of 6erv by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-10-19
Release date:2018-10-31
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
1AQT
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BU of 1aqt by Molmil
EPSILON SUBUNIT OF F1F0-ATP SYNTHASE FROM ESCHERICHIA COLI
Descriptor: ATP SYNTHASE
Authors:Uhlin, U, Guss, J.M.
Deposit date:1997-07-31
Release date:1998-02-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the epsilon subunit of the proton-translocating ATP synthase from Escherichia coli.
Structure, 5, 1997
2YMD
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BU of 2ymd by Molmil
Crystal structure of a mutant binding protein (5HTBP-AChBP) in complex with serotonin (5-hydroxytryptamine)
Descriptor: GLYCEROL, PHOSPHATE ION, SEROTONIN, ...
Authors:Kesters, D, Thompson, A.J, Brams, M, Elk, R.v, Spurny, R, Geitmann, M, Villalgordo, J.M, Guskov, A, Danielson, U.H, Lummis, S.C.R, Smit, A.B, Ulens, C.
Deposit date:2012-10-09
Release date:2012-12-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural Basis of Ligand Recognition in 5-Ht(3) Receptors.
Embo Rep., 14, 2013
4EDV
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BU of 4edv by Molmil
The structure of the S. aureus DnaG RNA Polymerase Domain bound to pppGpp and Manganese
Descriptor: BENZAMIDINE, DNA primase, MANGANESE (II) ION, ...
Authors:Rymer, R.U, Solorio, F.A, Chu, C, Corn, J.E, Wang, J.D, Berger, J.M.
Deposit date:2012-03-27
Release date:2012-07-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Binding Mechanism of Metal-NTP Substrates and Stringent-Response Alarmones to Bacterial DnaG-Type Primases.
Structure, 20, 2012
1X3W
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BU of 1x3w by Molmil
Structure of a peptide:N-glycanase-Rad23 complex
Descriptor: UV excision repair protein RAD23, ZINC ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, ...
Authors:Lee, J.-H, Choi, J.M, Lee, C, Yi, K.J, Cho, Y.
Deposit date:2005-05-11
Release date:2005-06-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of a peptide:N-glycanase-Rad23 complex: insight into the deglycosylation for denatured glycoproteins.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1WLR
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BU of 1wlr by Molmil
Apo aminopeptidase P from E. coli
Descriptor: CHLORIDE ION, ISOPROPYL ALCOHOL, TETRAETHYLENE GLYCOL, ...
Authors:Graham, S.C, Bond, C.S, Freeman, H.C, Guss, J.M.
Deposit date:2004-06-29
Release date:2005-08-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and functional implications of metal ion selection in aminopeptidase p, a metalloprotease with a dinuclear metal center
Biochemistry, 44, 2005
2Z3S
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BU of 2z3s by Molmil
NMR structure of AgTx2-MTX
Descriptor: AgTx2-MTX
Authors:Pimentel, C, M'Barrek, S, Visan, V, Grissmer, S, Sabatier, J.M, Darbon, H, Fajloun, Z.
Deposit date:2007-06-06
Release date:2008-04-22
Last modified:2020-02-26
Method:SOLUTION NMR
Cite:Chemical synthesis and 1H-NMR 3D structure determination of AgTx2-MTX chimera, a new potential blocker for Kv1.2 channel, derived from MTX and AgTx2 scorpion toxins.
Protein Sci., 17, 2008
2Z8O
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BU of 2z8o by Molmil
Structural basis for the catalytic mechanism of phosphothreonine lyase
Descriptor: 27.5 kDa virulence protein, L(+)-TARTARIC ACID
Authors:Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J.
Deposit date:2007-09-07
Release date:2007-12-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the catalytic mechanism of phosphothreonine lyase.
Nat.Struct.Mol.Biol., 15, 2008
4EPM
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BU of 4epm by Molmil
Crystal Structure of Arabidopsis GH3.12 (PBS3) in Complex with AMP
Descriptor: 4-substituted benzoates-glutamate ligase GH3.12, ADENOSINE MONOPHOSPHATE, SULFATE ION
Authors:Westfall, C.S, Zubieta, C, Herrmann, J, Kapp, U, Nanao, M.H, Jez, J.M.
Deposit date:2012-04-17
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structural basis for prereceptor modulation of plant hormones by GH3 proteins.
Science, 336, 2012
2ZL7
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BU of 2zl7 by Molmil
Atomic resolution structural characterization of recognition of histo-blood group antigens by Norwalk virus
Descriptor: 58 kd capsid protein, ACETATE ION, CALCIUM ION, ...
Authors:Choi, J.M, Huston, A.M, Estes, M.K, Prasad, B.V.V.
Deposit date:2008-04-02
Release date:2008-07-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Atomic resolution structural characterization of recognition of histo-blood group antigens by Norwalk virus
Proc.Natl.Acad.Sci.Usa, 105, 2008
2INX
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BU of 2inx by Molmil
Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol
Descriptor: 2,6-DIFLUOROPHENOL, Steroid delta-isomerase
Authors:Martinez Caaveiro, J.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P, Kraut, D, Herschlag, D.
Deposit date:2006-10-09
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole.
J.Am.Chem.Soc., 130, 2008
4EER
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BU of 4eer by Molmil
Crystal structure of LOV2 domain of Arabidopsis thaliana phototropin 2 C426A mutant
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Hitomi, K, Christie, J.M, Arvai, A.S, Hartfield, K.A, Pratt, A.J, Tainer, J.A, Getzoff, E.D.
Deposit date:2012-03-28
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.753 Å)
Cite:Structural Tuning of the Fluorescent Protein iLOV for Improved Photostability.
J.Biol.Chem., 287, 2012
2ZIM
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BU of 2zim by Molmil
Pyrrolysyl-tRNA synthetase bound to adenylated pyrrolysine and pyrophosphate
Descriptor: (2R)-2-AMINO-6-({[(2S,3R)-3-METHYLPYRROLIDIN-2-YL]CARBONYL}AMINO)HEXANOYL [(2S,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL HYDROGEN (R)-PHOSPHATE, 1,2-ETHANEDIOL, PYROPHOSPHATE 2-, ...
Authors:Steitz, T.A, Kavran, J.M.
Deposit date:2008-02-19
Release date:2008-03-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of pyrrolysyl-tRNA synthetase, an archaeal enzyme for genetic code innovation.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2ZL5
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BU of 2zl5 by Molmil
Atomic resolution structural characterization of recognition of histo-blood group antigen by Norwalk virus
Descriptor: 58 kd capsid protein, ACETATE ION, CALCIUM ION, ...
Authors:Choi, J.M, Huston, A.M, Estes, M.K, Prasad, B.V.V.
Deposit date:2008-04-02
Release date:2008-07-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Atomic resolution structural characterization of recognition of histo-blood group antigens by Norwalk virus
Proc.Natl.Acad.Sci.Usa, 105, 2008
1WL9
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BU of 1wl9 by Molmil
Structure of aminopeptidase P from E. coli
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Xaa-Pro aminopeptidase
Authors:Graham, S.C, Bond, C.S, Freeman, H.C, Guss, J.M.
Deposit date:2004-06-22
Release date:2005-08-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional implications of metal ion selection in aminopeptidase p, a metalloprotease with a dinuclear metal center
Biochemistry, 44, 2005
2ZL6
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BU of 2zl6 by Molmil
Atomic resolution structural characterization of recognition of histo-blood group antigens by Norwalk virus
Descriptor: 58 kd capsid protein, ACETATE ION, MAGNESIUM ION, ...
Authors:Choi, J.M, Huston, A.M, Estes, M.K, Prasad, B.V.V.
Deposit date:2008-04-02
Release date:2008-07-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Atomic resolution structural characterization of recognition of histo-blood group antigens by Norwalk virus
Proc.Natl.Acad.Sci.Usa, 105, 2008
4CO6
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BU of 4co6 by Molmil
Crystal structure of the Nipah virus RNA free nucleoprotein- phosphoprotein complex
Descriptor: BROMIDE ION, CHLORIDE ION, NUCLEOPROTEIN, ...
Authors:Yabukarksi, F, Lawrence, P, Tarbouriech, N, Bourhis, J.M, Jensen, M.R, Ruigrok, R.W.H, Blackledge, M, Volchkov, V, Jamin, M.
Deposit date:2014-01-27
Release date:2014-08-13
Last modified:2014-09-17
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Structure of Nipah Virus Unassembled Nucleoprotein in Complex with its Viral Chaperone.
Nat.Struct.Mol.Biol., 21, 2014
4D9S
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BU of 4d9s by Molmil
Crystal structure of Arabidopsis thaliana UVR8 (UV Resistance locus 8)
Descriptor: UVB-resistance protein UVR8
Authors:Arvai, A.S, Christie, J.M, Pratt, A.J, Hitomi, K, Getzoff, E.D.
Deposit date:2012-01-11
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Plant UVR8 Photoreceptor Senses UV-B by Tryptophan-Mediated Disruption of Cross-Dimer Salt Bridges.
Science, 335, 2012
4D0T
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BU of 4d0t by Molmil
GalNAc-T2 crystal soaked with UDP-GalNAc, EA2 peptide and manganese
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, MANGANESE (II) ION, ...
Authors:Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R.
Deposit date:2014-04-30
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N-Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
4CR2
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BU of 4cr2 by Molmil
Deep classification of a large cryo-EM dataset defines the conformational landscape of the 26S proteasome
Descriptor: 26S PROTEASE REGULATORY SUBUNIT 4 HOMOLOG, 26S PROTEASE REGULATORY SUBUNIT 6A, 26S PROTEASE REGULATORY SUBUNIT 6B HOMOLOG, ...
Authors:Unverdorben, P, Beck, F, Sledz, P, Schweitzer, A, Pfeifer, G, Plitzko, J.M, Baumeister, W, Foerster, F.
Deposit date:2014-02-25
Release date:2014-04-02
Last modified:2018-10-03
Method:ELECTRON MICROSCOPY (7.7 Å)
Cite:Deep Classification of a Large Cryo-Em Dataset Defines the Conformational Landscape of the 26S Proteasome.
Proc.Natl.Acad.Sci.USA, 111, 2014
6FD2
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BU of 6fd2 by Molmil
Radical SAM 1,2-diol dehydratase AprD4 in complex with its substrate paromamine
Descriptor: 5'-DEOXYADENOSINE, IRON/SULFUR CLUSTER, METHIONINE, ...
Authors:Liu, W.Q, Amara, P, Mouesca, J.M, Ji, X, Renoux, O, Martin, L, Zhang, C, Zhang, Q, Nicolet, Y.
Deposit date:2017-12-21
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:1,2-Diol Dehydration by the Radical SAM Enzyme AprD4: A Matter of Proton Circulation and Substrate Flexibility.
J. Am. Chem. Soc., 140, 2018
6F62
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BU of 6f62 by Molmil
Crystal structure of the SYCP1 N-terminal head-to-head assembly in open conformation
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Synaptonemal complex protein 1
Authors:Dunce, J.M, Davies, O.R.
Deposit date:2017-12-04
Release date:2018-06-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.066 Å)
Cite:Structural basis of meiotic chromosome synapsis through SYCP1 self-assembly.
Nat. Struct. Mol. Biol., 25, 2018

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