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1WYU
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BU of 1wyu by Molmil
Crystal structure of glycine decarboxylase (P-protein) of the glycine cleavage system, in holo form
Descriptor: PYRIDOXAL-5'-PHOSPHATE, glycine dehydrogenase (decarboxylating) subunit 1, glycine dehydrogenase subunit 2 (P-protein)
Authors:Nakai, T, Nakagawa, N, Maoka, N, Masui, R, Kuramitsu, S, Kamiya, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-02-17
Release date:2005-04-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of P-protein of the glycine cleavage system: implications for nonketotic hyperglycinemia
Embo J., 24, 2005
1WUF
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BU of 1wuf by Molmil
Crystal structure of protein GI:16801725, member of Enolase superfamily from Listeria innocua Clip11262
Descriptor: MAGNESIUM ION, hypothetical protein lin2664
Authors:Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2004-12-07
Release date:2004-12-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family
Proc.Natl.Acad.Sci.USA, 111, 2014
7T03
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BU of 7t03 by Molmil
NMR structure of a designed cold unfolding four helix bundle
Descriptor: Cold unfolding four helix bundle
Authors:Pulavarti, S, Szyperski, T, Yuen, S, Maguire, J, Griffin, J, Kuhlman, B.
Deposit date:2021-11-29
Release date:2022-03-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:From Protein Design to the Energy Landscape of a Cold Unfolding Protein.
J.Phys.Chem.B, 126, 2022
5JVG
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BU of 5jvg by Molmil
The large ribosomal subunit from Deinococcus radiodurans in complex with avilamycin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 23S ribosomal RNA, 50S ribosomal protein L11, ...
Authors:Krupkin, M, Wekselman, I, Matzov, D, Eyal, Z, Diskin Posner, Y, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A.
Deposit date:2016-05-11
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.428 Å)
Cite:Avilamycin and evernimicin induce structural changes in rProteins uL16 and CTC that enhance the inhibition of A-site tRNA binding.
Proc.Natl.Acad.Sci.USA, 113, 2016
1X8H
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BU of 1x8h by Molmil
The Mono-Zinc Carbapenemase CphA (N220G mutant) Shows a Zn(II)- NH2 ARG Coordination
Descriptor: Beta-lactamase, CARBONATE ION, GLYCEROL, ...
Authors:Garau, G, Dideberg, O.
Deposit date:2004-08-18
Release date:2004-12-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Metallo-beta-lactamase Enzyme in Action: Crystal Structures of the Monozinc Carbapenemase CphA and its Complex with Biapenem
J.Mol.Biol., 345, 2005
1PIO
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BU of 1pio by Molmil
AN ENGINEERED STAPHYLOCOCCUS AUREUS PC1 BETA-LACTAMASE THAT HYDROLYSES THIRD GENERATION CEPHALOSPORINS
Descriptor: BETA-LACTAMASE
Authors:Zawadzke, L.E, Herzberg, O.
Deposit date:1995-10-11
Release date:1996-03-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:An engineered Staphylococcus aureus PC1 beta-lactamase that hydrolyses third-generation cephalosporins.
Protein Eng., 8, 1995
1I9H
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BU of 1i9h by Molmil
CORE STREPTAVIDIN-BNA COMPLEX
Descriptor: 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE, STREPTAVIDIN
Authors:Livnah, O, Huberman, T, Wilchek, M, Bayer, E.A, Eisenberg-Domovich, Y.
Deposit date:2001-03-20
Release date:2001-09-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Chicken avidin exhibits pseudo-catalytic properties. Biochemical, structural, and electrostatic consequences.
J.Biol.Chem., 276, 2001
6YM5
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BU of 6ym5 by Molmil
Crystal structure of BAY-091 with PIP4K2A
Descriptor: (2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid, PHOSPHATE ION, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
Authors:Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C.
Deposit date:2020-04-07
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
6YM3
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BU of 6ym3 by Molmil
Crystal structure of Compound 1 with PIP4K2A
Descriptor: (2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid, PHOSPHATE ION, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
Authors:Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C.
Deposit date:2020-04-07
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
6YM4
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BU of 6ym4 by Molmil
Crystal structure of BAY-297 with PIP4K2A
Descriptor: (2~{R})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide, GLYCEROL, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
Authors:Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C.
Deposit date:2020-04-07
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
1PXE
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BU of 1pxe by Molmil
Solution Structure of a CCHHC Domain of Neural Zinc Finger Factor-1
Descriptor: ZINC ION, neural zinc finger transcription factor 1
Authors:Berkovits-Cymet, H.J, Amann, B.T, Berg, J.M.
Deposit date:2003-07-03
Release date:2004-02-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of a CCHHC Domain of Neural Zinc Finger Factor-1 and Its Implications for DNA Binding.
Biochemistry, 43, 2004
5N21
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BU of 5n21 by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
Descriptor: 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid, B-cell lymphoma 6 protein, CHLORIDE ION
Authors:Robb, G, Ferguson, A, Hargreaves, D.
Deposit date:2017-02-06
Release date:2017-05-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N1X
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BU of 5n1x by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
Descriptor: B-cell lymphoma 6 protein, ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine
Authors:Robb, G, Ferguson, A, Hargreaves, D.
Deposit date:2017-02-06
Release date:2017-05-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
2MUB
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BU of 2mub by Molmil
Solution structure of the analgesic sea anemone peptide APETx2
Descriptor: Toxin APETx2
Authors:Mobli, M, King, G.F, Rosengren, K.J, Jensen, J.E.
Deposit date:2014-09-07
Release date:2014-12-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Understanding the Molecular Basis of Toxin Promiscuity: The Analgesic Sea Anemone Peptide APETx2 Interacts with Acid-Sensing Ion Channel 3 and hERG Channels via Overlapping Pharmacophores.
J.Med.Chem., 57, 2014
5N1Z
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BU of 5n1z by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine macrocyclic ligand
Descriptor: B-cell lymphoma 6 protein, CHLORIDE ION, pyrazolo-pyrimidine macrocycle
Authors:Robb, G, Ferguson, A, Hargreaves, D.
Deposit date:2017-02-06
Release date:2017-05-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
2N81
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BU of 2n81 by Molmil
Solution Structure of Lipid Transfer Protein From Pea Pisum Sativum
Descriptor: Lipid Transfer Protein
Authors:Paramonov, A.S, Rumynskiy, E.I, Bogdanov, I.V, Finkina, E.I, Melnikova, D.N, Ovchinnikova, T.V, Shenkarev, Z.O, Arseniev, A.S.
Deposit date:2015-09-30
Release date:2016-05-11
Last modified:2017-12-20
Method:SOLUTION NMR
Cite:A novel lipid transfer protein from the pea Pisum sativum: isolation, recombinant expression, solution structure, antifungal activity, lipid binding, and allergenic properties.
BMC Plant Biol, 16
5NE0
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BU of 5ne0 by Molmil
Room temperature in-situ structure of hen egg-white lysozyme from crystals enclosed between ultrathin silicon nitride membranes
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Martiel, I, Opara, N, Arnold, S.A, Braun, T, Stahlberg, H, Makita, M, David, C, Padeste, C.
Deposit date:2017-03-09
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Direct protein crystallization on ultrathin membranes for diffraction measurements at X-ray free-electron lasers.
J.Appl.Crystallogr., 50, 2017
2C6W
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BU of 2c6w by Molmil
PENICILLIN-BINDING PROTEIN 1A (PBP-1A) FROM STREPTOCOCCUS PNEUMONIAE
Descriptor: CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1A, ZINC ION
Authors:Contreras-Martel, C, Job, V, Di Guilmi, A.-M, Vernet, T, Dideberg, O, Dessen, A.
Deposit date:2005-11-14
Release date:2005-12-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal Structure of Penicillin-Binding Protein 1A (Pbp1A) Reveals a Mutational Hotspot Implicated in Beta-Lactam Resistance in Streptococcus Pneumoniae.
J.Mol.Biol., 355, 2006
2MUN
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BU of 2mun by Molmil
Solution structure of mu-SLPTX3-Ssm6a
Descriptor: Mu-scoloptoxin-Ssm6a
Authors:Undheim, E.A.B, King, G.F, Mobli, M.
Deposit date:2014-09-13
Release date:2015-06-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Weaponization of a Hormone: Convergent Recruitment of Hyperglycemic Hormone into the Venom of Arthropod Predators.
Structure, 23, 2015
8OLR
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BU of 8olr by Molmil
Structure of yeast 20S proteasome in complex with the natural product beta-lactone inhibitor Cystargolide A
Descriptor: CHLORIDE ION, Cystargolide A (bound), MAGNESIUM ION, ...
Authors:Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H.
Deposit date:2023-03-30
Release date:2023-12-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A.
Angew.Chem.Int.Ed.Engl., 63, 2024
4X6R
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BU of 4x6r by Molmil
An Isoform-specific Myristylation Switch Targets RIIb PKA Holoenzymes to Membranes
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Zhang, P, Ye, F, Bastidas, A.C, Kornev, A.P, Ginsberg, M.H, Wu, J, Taylor, S.S.
Deposit date:2014-12-09
Release date:2015-07-22
Last modified:2020-06-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An Isoform-Specific Myristylation Switch Targets Type II PKA Holoenzymes to Membranes.
Structure, 23, 2015
8OLL
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BU of 8oll by Molmil
Staphylococcus aureus ClpP in complex with the natural product beta-lactone inhibitor Cystargolide A at 2.7 A resolution
Descriptor: ATP-dependent Clp protease proteolytic subunit, Cystargolide A (bound)
Authors:Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H.
Deposit date:2023-03-30
Release date:2023-12-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A.
Angew.Chem.Int.Ed.Engl., 63, 2024
4NK9
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BU of 4nk9 by Molmil
Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex with pyrazolaminopyrimidine 1
Descriptor: 1,2-ETHANEDIOL, FIBROBLAST GROWTH FACTOR RECEPTOR 1, N~4~-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine, ...
Authors:Norman, R.A, Klein, T.
Deposit date:2013-11-12
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:FGFR1 Kinase Inhibitors: Close Regioisomers Adopt Divergent Binding Modes and Display Distinct Biophysical Signatures.
ACS Med Chem Lett, 5, 2014
4NKS
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BU of 4nks by Molmil
Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex with pyrazolaminopyrimidine 3
Descriptor: Fibroblast growth factor receptor 1, N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[5-(2-phenylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
Authors:Norman, R.A, Klein, T.
Deposit date:2013-11-13
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:FGFR1 Kinase Inhibitors: Close Regioisomers Adopt Divergent Binding Modes and Display Distinct Biophysical Signatures.
ACS Med Chem Lett, 5, 2014
1NOZ
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BU of 1noz by Molmil
T4 DNA POLYMERASE FRAGMENT (RESIDUES 1-388) AT 110K
Descriptor: DNA POLYMERASE
Authors:Wang, J, Yu, P, Lin, T.C, Konigsberg, W.H, Steitz, T.A.
Deposit date:1996-02-16
Release date:1996-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of an NH2-terminal fragment of T4 DNA polymerase and its complexes with single-stranded DNA and with divalent metal ions.
Biochemistry, 35, 1996

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