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3D6H
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BU of 3d6h by Molmil
Crystal structure of human caspase-1 with a naturally-occurring Asn263->Ser substitution in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, Caspase-1 precursor, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Rosen-Wolff, A, Roesler, J, Romanowski, M.J.
Deposit date:2008-05-19
Release date:2010-03-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mutated, structurally altered caspase-1 with decreased enzymatic and increased RIP2-meditated inflammatory activity leads to a new type of periodic fever (ICE fever).
To be Published, 2008
3DGY
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BU of 3dgy by Molmil
Crystal structure of ribonuclease Sa2 with guanosine-2'-cyclophosphate
Descriptor: GUANOSINE-2'-MONOPHOSPHATE, Ribonuclease, SULFATE ION, ...
Authors:Sevcik, J, Bauerova-Hlinkova, V.
Deposit date:2008-06-16
Release date:2009-06-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of RNase Sa2 complexes with mononucleotides - new aspects of catalytic reaction and substrate recognition
Febs J., 276, 2009
3DH2
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BU of 3dh2 by Molmil
Crystal structure of ribonuclease Sa2 with guanosine-3'-cyclophosphate prepared by cocrystallization
Descriptor: GUANOSINE-3'-MONOPHOSPHATE, Ribonuclease, SULFATE ION, ...
Authors:Sevcik, J, Bauerova-Hlinkova, V.
Deposit date:2008-06-16
Release date:2009-06-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of RNase Sa2 complexes with mononucleotides - new aspects of catalytic reaction and substrate recognition
Febs J., 276, 2009
2IEL
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BU of 2iel by Molmil
CRYSTAL STRUCTURE OF TT0030 from Thermus Thermophilus
Descriptor: Hypothetical Protein TT0030
Authors:Zhu, J, Huang, J, Stepanyuk, G, Chen, L, Chang, J, Zhao, M, Xu, H, Liu, Z.J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2006-09-19
Release date:2006-11-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:CRYSTAL STRUCTURE OF TT0030 from Thermus Thermophilus AT 1.6 ANGSTROMS RESOLUTION
To be Published
8RWK
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BU of 8rwk by Molmil
cryoEM structure of the central Ald4 filament determined by FilamentID
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Potassium-activated aldehyde dehydrogenase, mitochondrial
Authors:Hugener, J, Xu, J, Wettstein, R, Ioannidi, L, Velikov, D, Wollweber, F, Henggeler, A, Matos, J, Pilhofer, M.
Deposit date:2024-02-05
Release date:2024-06-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:FilamentID reveals the composition and function of metabolic enzyme polymers during gametogenesis.
Cell, 187, 2024
3D8A
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BU of 3d8a by Molmil
Co-crystal structure of TraM-TraD complex.
Descriptor: Protein traD, Relaxosome protein TraM
Authors:Glover, J.N.M, Lu, J, Wong, J.J, Edwards, R.A.
Deposit date:2008-05-22
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis of specific TraD-TraM recognition during F plasmid-mediated bacterial conjugation.
Mol.Microbiol., 70, 2008
3S91
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BU of 3s91 by Molmil
Crystal Structure of the first bromodomain of human BRD3 in complex with the inhibitor JQ1
Descriptor: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Bromodomain-containing protein 3, ISOPROPYL ALCOHOL
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-05-31
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal Structure of the first bromodomain of human BRD3 in complex with the inhibitor JQ1
To be Published
3S92
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BU of 3s92 by Molmil
Crystal Structure of the second bromodomain of human BRD3 in complex with the inhibitor JQ1
Descriptor: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain-containing protein 3
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-05-31
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Crystal Structure of the second bromodomain of human BRD3 in complex with the inhibitor JQ1
To be Published
3SK0
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BU of 3sk0 by Molmil
structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA mutant DhaA12
Descriptor: CHLORIDE ION, Haloalkane dehalogenase
Authors:Lahoda, M, Stsiapanava, A, Mesters, J, Koudelakova, T, Damborsky, J, Kuta-Smatanova, I.
Deposit date:2011-06-22
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Dynamics and hydration explain failed functional transformation in dehalogenase design.
Nat.Chem.Biol., 10, 2014
2J91
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BU of 2j91 by Molmil
Crystal structure of Human Adenylosuccinate Lyase in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, ADENYLOSUCCINATE LYASE, CHLORIDE ION, ...
Authors:Stenmark, P, Moche, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kosinska, U, Kotenyova, T, Magnusdottir, A, Nilsson, M.E, Nilsson-Ehle, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Uppsten, M, Thorsell, A.G, van Den Berg, S, Wallden, K, Weigelt, J, Nordlund, P.
Deposit date:2006-11-01
Release date:2006-11-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Human Adenylosuccinate Lyase
To be Published
6Z97
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BU of 6z97 by Molmil
Structure of the prefusion SARS-CoV-2 spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin
Authors:Duyvesteyn, H.M.E, Ren, J, Zhao, Y, Zhou, D, Huo, J, Carrique, L, Malinauskas, T, Ruza, R.R, Shah, P.N.M, Fry, E.E, Owens, R, Stuart, D.I.
Deposit date:2020-06-03
Release date:2020-07-01
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
5D7J
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BU of 5d7j by Molmil
Structure of human MR1-5-OP-RU in complex with human MAIT M33.64(Y95alphaF) TCR
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
Authors:Keller, A.N, Woolley, R.E, Rossjohn, J.
Deposit date:2015-08-14
Release date:2016-01-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition.
Immunity, 44, 2016
9QZT
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BU of 9qzt by Molmil
Room temperature structure of Glycine max phyA in Pfr/Pr ensemble
Descriptor: PHYCOCYANOBILIN, Phytochrome A-2
Authors:Nagano, S, Hughes, J.
Deposit date:2025-04-24
Release date:2025-06-04
Last modified:2025-07-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Pr and Pfr structures of plant phytochrome A.
Nat Commun, 16, 2025
3S93
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BU of 3s93 by Molmil
Crystal structure of conserved motif in TDRD5
Descriptor: Tudor domain-containing protein 5, UNKNOWN ATOM OR ION
Authors:Chao, X, Tempel, W, Bian, C, Kania, J, Wernimont, A.K, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2011-05-31
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of conserved motif in TDRD5
to be published
5J9Y
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BU of 5j9y by Molmil
EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1b
Descriptor: (R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor
Authors:Becker, C, Engel, J, Rauh, D.
Deposit date:2016-04-11
Release date:2016-08-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR.
Angew.Chem.Int.Ed.Engl., 55, 2016
4LMR
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BU of 4lmr by Molmil
Crystal structure of L-lactate dehydrogenase from Bacillus cereus ATCC 14579, NYSGRC Target 029452
Descriptor: L-lactate dehydrogenase 1
Authors:Malashkevich, V.N, Bonanno, J.B, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-07-10
Release date:2013-07-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of L-lactate dehydrogenase from Bacillus cereus ATCC 14579, NYSGRC Target 029452
To be Published
6YQ4
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BU of 6yq4 by Molmil
Crystal structure of Fusobacterium nucleatum tannase
Descriptor: GLYCEROL, MAGNESIUM ION, SPERMIDINE, ...
Authors:Mancheno, J.M, Anguita, J, Rodriguez, H.
Deposit date:2020-04-16
Release date:2021-03-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:A structurally unique Fusobacterium nucleatum tannase provides detoxicant activity against gallotannins and pathogen resistance.
Microb Biotechnol, 15, 2022
6Y4M
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BU of 6y4m by Molmil
Structure of Tubulin Tyrosine Ligase in Complex with Tb111
Descriptor: (2~{R})-1-methylpiperidine-2-carboxylic acid, (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V.
Deposit date:2020-02-21
Release date:2021-03-31
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Design, Synthesis, and Biological Evaluation of Tubulysin Analogues, Linker-Drugs, and Antibody-Drug Conjugates, Insights into Structure-Activity Relationships, and Tubulysin-Tubulin Binding Derived from X-ray Crystallographic Analysis.
J.Org.Chem., 86, 2021
4LBX
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BU of 4lbx by Molmil
Crystal structure of probable sugar kinase protein from Rhizobium Etli CFN 42 complexed with cytidine
Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ADENOSINE, DIMETHYL SULFOXIDE, ...
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-06-21
Release date:2013-07-03
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of probable sugar kinase protein from Rhizobium Etli CFN 42 complexed with cytidine
To be Published
6Y4N
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BU of 6y4n by Molmil
Structure of Tubulin Tyrosine Ligase in Complex with Tb116
Descriptor: (2~{R})-1-methylpiperidine-2-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V.
Deposit date:2020-02-21
Release date:2021-03-31
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.852 Å)
Cite:Design, Synthesis, and Biological Evaluation of Tubulysin Analogues, Linker-Drugs, and Antibody-Drug Conjugates, Insights into Structure-Activity Relationships, and Tubulysin-Tubulin Binding Derived from X-ray Crystallographic Analysis.
J.Org.Chem., 86, 2021
3K71
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BU of 3k71 by Molmil
Structure of integrin alphaX beta2 ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Xie, C, Zhu, J, Chen, X, Mi, L, Nishida, N, Springer, T.A.
Deposit date:2009-10-11
Release date:2010-01-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.95 Å)
Cite:Structure of an integrin with an alphaI domain, complement receptor type 4.
Embo J., 29, 2010
5D39
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BU of 5d39 by Molmil
Transcription factor-DNA complex
Descriptor: DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*GP*GP*AP*AP*GP*AP*CP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*GP*TP*CP*TP*TP*CP*CP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6
Authors:Li, J, Niu, F, Ouyang, S, Liu, Z.
Deposit date:2015-08-06
Release date:2016-08-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
5D7L
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BU of 5d7l by Molmil
Structure of human MR1-5-OP-RU in complex with human MAV36 TCR
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, MAV36 TCR Alpha Chain, ...
Authors:Keller, A.N, Rossjohn, J.
Deposit date:2015-08-14
Release date:2016-01-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition.
Immunity, 44, 2016
8S2X
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BU of 8s2x by Molmil
SSX structure of Arabidopsis thaliana Pdx1.3 grown in microfluidic droplets
Descriptor: CITRIC ACID, PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3
Authors:Stubbs, J, Tews, I, Maly, M.
Deposit date:2024-02-19
Release date:2024-02-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Droplet microfluidics for time-resolved serial crystallography.
Iucrj, 11, 2024
8S2V
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BU of 8s2v by Molmil
SSX structure of Lysozyme grown in microfluidic droplets
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Stubbs, J, Tews, I, Maly, M.
Deposit date:2024-02-19
Release date:2024-02-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Droplet microfluidics for time-resolved serial crystallography.
Iucrj, 11, 2024

238582

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