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8UMP
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BU of 8ump by Molmil
T33-ml35 - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms
Descriptor: T33-ml35-redesigned-CutA-fold, T33-ml35-redesigned-TPR-domain-fold
Authors:Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O.
Deposit date:2023-10-18
Release date:2023-11-15
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
8UF0
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BU of 8uf0 by Molmil
T33-ml23 - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms
Descriptor: T33-ml23-redesigned-CutA-fold, T33-ml23-redesigned-tandem-BMC-T-fold
Authors:Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O.
Deposit date:2023-10-03
Release date:2023-11-15
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.02 Å)
Cite:A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
1KNP
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BU of 1knp by Molmil
E. coli L-aspartate oxidase: mutant R386L in complex with succinate
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, L-aspartate oxidase, SODIUM ION, ...
Authors:Bossi, R.T, Mattevi, A.
Deposit date:2001-12-19
Release date:2002-04-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of FAD-bound L-aspartate oxidase: insight into substrate specificity and catalysis.
Biochemistry, 41, 2002
8UI2
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BU of 8ui2 by Molmil
T33-ml28 - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms
Descriptor: T33-ml28-redesigned-CutA-fold, T33-ml28-redesigned-tandem-BMC-T-fold
Authors:Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O.
Deposit date:2023-10-09
Release date:2024-03-06
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
8UKM
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BU of 8ukm by Molmil
T33-ml30 - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms
Descriptor: T33-ml30-redesigned-4-OT-fold, T33-ml30-redesigned-tandem-BMC-T-fold
Authors:Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O.
Deposit date:2023-10-14
Release date:2024-03-06
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
8UN1
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BU of 8un1 by Molmil
T33-ml23 Assembly Intermediate - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms
Descriptor: T33-ml23-redesigned-CutA-fold, T33-ml23-redesigned-tandem-BMC-T-fold
Authors:Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O.
Deposit date:2023-10-18
Release date:2024-03-06
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
8UMR
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BU of 8umr by Molmil
T33-ml35 Assembly Intermediate - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms
Descriptor: T33-ml35-redesigned-CutA-fold, T33-ml35-redesigned-TPR-domain-fold
Authors:Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O.
Deposit date:2023-10-18
Release date:2024-03-06
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.42 Å)
Cite:A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
1GAR
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BU of 1gar by Molmil
TOWARDS STRUCTURE-BASED DRUG DESIGN: CRYSTAL STRUCTURE OF A MULTISUBSTRATE ADDUCT COMPLEX OF GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE AT 1.96 ANGSTROMS RESOLUTION
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, N-[4-[[3-(2,4-DIAMINO-1,6-DIHYDRO-6-OXO-4-PYRIMIDINYL)-PROPYL]-[2-((2-OXO-2-((4-PHOSPHORIBOXY)-BUTYL)-AMINO)-ETHYL)-THIO-ACETYL]-AMINO]BENZOYL]-1-GLUTAMIC ACID
Authors:Wilson, I.A, Klein, C, Chen, P, Arevalo, J.H.
Deposit date:1994-12-08
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Towards structure-based drug design: crystal structure of a multisubstrate adduct complex of glycinamide ribonucleotide transformylase at 1.96 A resolution.
J.Mol.Biol., 249, 1995
2KL8
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BU of 2kl8 by Molmil
Solution NMR Structure of de novo designed ferredoxin-like fold protein, Northeast Structural Genomics Consortium Target OR15
Descriptor: OR15
Authors:Liu, G, Koga, N, Jiang, M, Koga, R, Xiao, R, Ciccosanti, C, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-06-30
Release date:2009-07-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Principles for designing ideal protein structures.
Nature, 491, 2012
1N7G
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BU of 1n7g by Molmil
Crystal Structure of the GDP-mannose 4,6-dehydratase ternary complex with NADPH and GDP-rhamnose.
Descriptor: GDP-D-mannose-4,6-dehydratase, GUANOSINE-5'-DIPHOSPHATE-RHAMNOSE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Mulichak, A.M, Bonin, C.P, Reiter, W.-D, Garavito, R.M.
Deposit date:2002-11-14
Release date:2003-01-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of the MUR1 GDP-mannose 4,6-dehydratase from A. thaliana: Implications for ligand binding and specificity.
Biochemistry, 41, 2002
1KNR
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BU of 1knr by Molmil
L-aspartate oxidase: R386L mutant
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, L-aspartate oxidase, ...
Authors:Bossi, R.T, Mattevi, A.
Deposit date:2001-12-19
Release date:2002-04-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of FAD-bound L-aspartate oxidase: insight into substrate specificity and catalysis.
Biochemistry, 41, 2002
2L82
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BU of 2l82 by Molmil
Solution NMR Structure of de novo designed protein, P-loop NTPase fold, Northeast Structural Genomics Consortium Target OR32
Descriptor: DESIGNED PROTEIN OR32
Authors:Liu, G, Koga, N, Koga, R, Xiao, R, Hamilton, K, Janjua, H, Tong, S, Acton, T.B, Everett, J, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-12-31
Release date:2011-02-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Northeast Structural Genomics Consortium Target OR32
To be Published
1MEN
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BU of 1men by Molmil
complex structure of human GAR Tfase and substrate beta-GAR
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE, Phosphoribosylglycinamide formyltransferase
Authors:Zhang, Y, Desharnais, J, Greasley, S.E, Beardsley, G.P, Boger, D.L, Wilson, I.A.
Deposit date:2002-08-08
Release date:2002-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal structures of human GAR Tfase of low and high pH and with substrate beta-GAR
Biochemistry, 41, 2002
2LCI
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BU of 2lci by Molmil
Solution NMR Structure of DE NOVO DESIGNED PROTEIN, P-LOOP NTPASE FOLD, Northeast Structural Genomics Consortium Target OR36 (CASD Target)
Descriptor: Protein OR36
Authors:Liu, G, Koga, N, Koga, R, Xiao, R, Janjua, H, Ciccosanti, C, Lee, H, Acton, T.B, Everett, J, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-04-29
Release date:2011-06-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Northeast Structural Genomics Consortium Target OR36
To be Published
1K4K
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BU of 1k4k by Molmil
Crystal structure of E. coli Nicotinic acid mononucleotide adenylyltransferase
Descriptor: Nicotinic acid mononucleotide adenylyltransferase, XENON
Authors:Zhang, H, Zhou, T, Kurnasov, O, Cheek, S, Grishin, N.V, Osterman, A.L.
Deposit date:2001-10-08
Release date:2002-10-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of E. coli nicotinate mononucleotide adenylyltransferase and its complex with deamido-NAD.
Structure, 10, 2002
1G8M
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BU of 1g8m by Molmil
CRYSTAL STRUCTURE OF AVIAN ATIC, A BIFUNCTIONAL TRANSFORMYLASE AND CYCLOHYDROLASE ENZYME IN PURINE BIOSYNTHESIS AT 1.75 ANG. RESOLUTION
Descriptor: AICAR TRANSFORMYLASE-IMP CYCLOHYDROLASE, GUANOSINE-5'-MONOPHOSPHATE, POTASSIUM ION
Authors:Greasley, S.E, Horton, P, Beardsley, G.P, Benkovic, S.J, Wilson, I.A.
Deposit date:2000-11-17
Release date:2001-04-27
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a bifunctional transformylase and cyclohydrolase enzyme in purine biosynthesis.
Nat.Struct.Biol., 8, 2001
2MLB
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BU of 2mlb by Molmil
NMR solution structure of a computational designed protein based on template of human erythrocytic ubiquitin
Descriptor: redesigned ubiquitin
Authors:Xiong, P, Wang, M, Zhang, J, Chen, Q, Liu, H.
Deposit date:2014-02-21
Release date:2014-10-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability
Nat Commun, 5, 2014
2MN4
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BU of 2mn4 by Molmil
NMR solution structure of a computational designed protein based on structure template 1cy5
Descriptor: Computational designed protein based on structure template 1cy5
Authors:Xiong, P, Wang, M, Zhang, J, Chen, Q, Liu, H.
Deposit date:2014-03-28
Release date:2014-10-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability
Nat Commun, 5, 2014
1J4B
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BU of 1j4b by Molmil
Recombinant Mouse-Muscle Adenylosuccinate Synthetase
Descriptor: adenylosuccinate synthetase
Authors:Iancu, C.V, Borza, T, Choe, J.Y, Fromm, H.J, Honzatko, R.B.
Deposit date:2001-09-07
Release date:2001-11-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Recombinant mouse muscle adenylosuccinate synthetase: overexpression, kinetics, and crystal structure.
J.Biol.Chem., 276, 2001
2KIK
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BU of 2kik by Molmil
An artificial di-iron oxo-protein with phenol oxidase activity
Descriptor: Artificial diiron protein, ZINC ION
Authors:Maglio, O, Lombardi, A.
Deposit date:2009-05-06
Release date:2009-11-10
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:An artificial di-iron oxo-protein with phenol oxidase activity
To be Published
4GMR
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BU of 4gmr by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR266.
Descriptor: NITRATE ION, OR266 DE NOVO PROTEIN
Authors:Vorobiev, S, Su, M, Parmeggiani, F, Seetharaman, J, Huang, P.-S, Mao, M, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-08-16
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.377 Å)
Cite:Computational design of self-assembling cyclic protein homo-oligomers.
NAT.CHEM., 9, 2017
5TXJ
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BU of 5txj by Molmil
Polymorphic form 1 of amyloid-beta derived peptide - IFAEDV
Descriptor: amyloid-beta derived peptide
Authors:Sangwan, S, Sawaya, M.R, Eisenberg, D.
Deposit date:2016-11-16
Release date:2017-11-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Distal amyloid beta-protein fragments template amyloid assembly.
Protein Sci., 27, 2018
4ETJ
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BU of 4etj by Molmil
Crystal Structure of E6H variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR185
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, ...
Authors:Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
4ESS
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BU of 4ess by Molmil
Crystal Structure of E6D/L155R variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR187
Descriptor: OR187
Authors:Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-04-23
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9971 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
6B6H
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BU of 6b6h by Molmil
The cryo-EM structure of a bacterial class I transcription activation complex
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Liu, B, Hong, C, Huang, R, Yu, Z, Steitz, T.A.
Deposit date:2017-10-02
Release date:2017-11-15
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of bacterial transcription activation.
Science, 358, 2017

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