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5ROD
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BU of 5rod by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo71
Descriptor: Proteinase K, SULFATE ION
Authors:Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
Deposit date:2020-09-23
Release date:2021-05-26
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RP5
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BU of 5rp5 by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo48
Descriptor: Proteinase K, SULFATE ION
Authors:Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
Deposit date:2020-09-23
Release date:2021-05-26
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPA
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BU of 5rpa by Molmil
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen E3a
Descriptor: 3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine, Proteinase K, SULFATE ION
Authors:Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
Deposit date:2020-09-23
Release date:2021-05-26
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPG
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BU of 5rpg by Molmil
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen H2a
Descriptor: Proteinase K, SULFATE ION, TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID
Authors:Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
Deposit date:2020-09-23
Release date:2021-05-26
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPJ
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BU of 5rpj by Molmil
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen B12a
Descriptor: 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide, Proteinase K, SULFATE ION
Authors:Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
Deposit date:2020-09-23
Release date:2021-05-26
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RON
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BU of 5ron by Molmil
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen E4a
Descriptor: 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide, Proteinase K, SULFATE ION
Authors:Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
Deposit date:2020-09-23
Release date:2021-05-26
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROM
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BU of 5rom by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo45
Descriptor: Proteinase K, SULFATE ION
Authors:Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
Deposit date:2020-09-23
Release date:2021-05-26
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROZ
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BU of 5roz by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo41
Descriptor: Proteinase K, SULFATE ION
Authors:Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
Deposit date:2020-09-23
Release date:2021-05-26
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPU
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BU of 5rpu by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo67
Descriptor: Proteinase K, SULFATE ION
Authors:Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
Deposit date:2020-09-23
Release date:2021-05-26
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5XGO
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BU of 5xgo by Molmil
The Ferritin E-Domain: Toward Understanding Its Role in Protein Cage Assembly Through the Crystal Structure of a Maxi-/Mini-Ferritin Chimera
Descriptor: CHLORIDE ION, DNA protection during starvation protein,Bacterioferritin
Authors:Cornell, T.A, Srivastava, Y, Jauch, R, Fan, R, Orner, B.P.
Deposit date:2017-04-14
Release date:2018-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The Crystal Structure of a Maxi/Mini-Ferritin Chimera Reveals Guiding Principles for the Assembly of Protein Cages.
Biochemistry, 56, 2017
3C7A
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BU of 3c7a by Molmil
A structural basis for substrate and stereo selectivity in octopine dehydrogenase (ODH-NADH)
Descriptor: 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Octopine dehydrogenase
Authors:Smits, S.H.J, Mueller, A, Schmitt, L, Grieshaber, M.K.
Deposit date:2008-02-07
Release date:2008-07-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A structural basis for substrate selectivity and stereoselectivity in octopine dehydrogenase from Pecten maximus.
J.Mol.Biol., 381, 2008
3C7D
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BU of 3c7d by Molmil
A structural basis for substrate and stereo selectivity in octopine dehydrogenase (ODH-NADH-Pyruvate)
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Octopine dehydrogenase, PYRUVIC ACID
Authors:Smits, S.H.J, Mueller, A, Schmitt, L, Grieshaber, M.K.
Deposit date:2008-02-07
Release date:2008-07-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A structural basis for substrate selectivity and stereoselectivity in octopine dehydrogenase from Pecten maximus.
J.Mol.Biol., 381, 2008
3C7C
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BU of 3c7c by Molmil
A structural basis for substrate and stereo selectivity in octopine dehydrogenase (ODH-NADH-L-Arginine)
Descriptor: ARGININE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Octopine dehydrogenase
Authors:Smits, S.H.J, Mueller, A, Schmitt, L, Grieshaber, M.K.
Deposit date:2008-02-07
Release date:2008-07-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A structural basis for substrate selectivity and stereoselectivity in octopine dehydrogenase from Pecten maximus.
J.Mol.Biol., 381, 2008
6M1H
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BU of 6m1h by Molmil
CryoEM structure of human PAC1 receptor in complex with maxadilan
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y.
Deposit date:2020-02-26
Release date:2020-03-11
Last modified:2020-05-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism.
Cell Res., 30, 2020
3IQD
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BU of 3iqd by Molmil
Structure of Octopine-dehydrogenase in complex with NADH and Agmatine
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, AGMATINE, Octopine dehydrogenase
Authors:Smits, S.H.J, Meyer, T, Mueller, A, Willbold, D, Grieshaber, M.K, Schmitt, L.
Deposit date:2009-08-20
Release date:2010-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Insights into the mechanism of ligand binding to octopine dehydrogenase from Pecten maximus by NMR and crystallography
Plos One, 5, 2010
3B0T
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BU of 3b0t by Molmil
Human VDR ligand binding domain in complex with maxacalcitol
Descriptor: (1S,3R,5Z,7E,14beta,17alpha,20S)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor
Authors:Hishiki, A, Hashimoto, H, Sato, M, Shimizu, T.
Deposit date:2011-06-14
Release date:2011-08-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Human VDR ligand binding domain in complex with maxacalcitol
To be Published
2N1E
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BU of 2n1e by Molmil
MAX1 peptide fibril
Descriptor: MAX1 peptide
Authors:Nagy-Smith, K, Moore, E, Schneider, J, Tycko, R.
Deposit date:2015-03-30
Release date:2015-07-29
Last modified:2023-06-14
Method:SOLID-STATE NMR
Cite:Molecular structure of monomorphic peptide fibrils within a kinetically trapped hydrogel network.
Proc.Natl.Acad.Sci.USA, 112, 2015
1F1C
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BU of 1f1c by Molmil
CRYSTAL STRUCTURE OF CYTOCHROME C549
Descriptor: CYTOCHROME C549, HEME C
Authors:Kerfeld, C.A, Sawaya, M.R, Yeates, T.O, Krogmann, D.W.
Deposit date:2000-05-18
Release date:2001-08-08
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of cytochrome c-549 and cytochrome c6 from the cyanobacterium Arthrospira maxima.
Biochemistry, 40, 2001
1PPE
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BU of 1ppe by Molmil
THE REFINED 2.0 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN BOVINE BETA-TRYPSIN AND CMTI-I, A TRYPSIN INHIBITOR FROM SQUASH SEEDS (CUCURBITA MAXIMA): TOPOLOGICAL SIMILARITY OF THE SQUASH SEED INHIBITORS WITH THE CARBOXYPEPTIDASE A INHIBITOR FROM POTATOES
Descriptor: TRYPSIN, TRYPSIN INHIBITOR CMTI-I
Authors:Bode, W, Huber, R.
Deposit date:1991-10-24
Release date:1994-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The refined 2.0 A X-ray crystal structure of the complex formed between bovine beta-trypsin and CMTI-I, a trypsin inhibitor from squash seeds (Cucurbita maxima). Topological similarity of the squash seed inhibitors with the carboxypeptidase A inhibitor from potatoes
FEBS Lett., 242, 1989
1EMY
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BU of 1emy by Molmil
CRYSTAL STRUCTURE OF ASIAN ELEPHANT (ELEPHAS MAXIMUS) CYANO-MET MYOGLOBIN AT 1.78 ANGSTROMS RESOLUTION. PHE 29 (B10) ACCOUNTS FOR ITS UNUSUAL LIGAND BINDING PROPERTIES
Descriptor: CYANIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bisig, D.A, Piontek, K.
Deposit date:1995-02-22
Release date:1995-04-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of Asian elephant (Elephas maximus) cyano-metmyoglobin at 1.78-A resolution. Phe29(B10) accounts for its unusual ligand binding properties.
J.Biol.Chem., 270, 1995
1SMR
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BU of 1smr by Molmil
The 3-d structure of mouse submaxillary renin complexed with a decapeptide inhibitor ch-66 based on the 4-16 fragment of rat angiotensinogen
Descriptor: INHIBITOR CH-66, RENIN
Authors:Dealwis, C.G, Blundell, T.L.
Deposit date:1992-03-11
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray analysis at 2.0 A resolution of mouse submaxillary renin complexed with a decapeptide inhibitor CH-66, based on the 4-16 fragment of rat angiotensinogen.
J.Mol.Biol., 236, 1994
1PC6
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BU of 1pc6 by Molmil
Structural Genomics, NinB
Descriptor: BETA-MERCAPTOETHANOL, Protein ninB
Authors:Zhang, R, Beasley, S, Maxwell, K.L, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2003-05-15
Release date:2004-01-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Functional similarities between phage lambda Orf and Escherichia coli RecFOR in initiation of genetic exchange
Proc.Natl.Acad.Sci.USA, 102, 2005
4PMM
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BU of 4pmm by Molmil
The structure of TrkA kinase bound to the inhibitor N-(3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}acetamide
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Su, H.P.
Deposit date:2014-05-22
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014
4PMS
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BU of 4pms by Molmil
The structure of TrkA kinase bound to the inhibitor 4-naphthalen-1-yl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
Descriptor: 4-(naphthalen-1-yl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Su, H.P.
Deposit date:2014-05-22
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014
4PMT
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BU of 4pmt by Molmil
The structure of TrkA kinase bound to the inhibitor N~4~-(4-morpholin-4-ylphenyl)-N~6~-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-4,6-diamine
Descriptor: ACETATE ION, CHLORIDE ION, High affinity nerve growth factor receptor, ...
Authors:Su, H.P.
Deposit date:2014-05-22
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014

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