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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)
分子名称: Caspase-1, Caspase-1 precursor, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
著者Rosen-Wolff, A, Roesler, J, Romanowski, M.J.
登録日2008-05-19
公開日2010-03-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: GUANOSINE-2'-MONOPHOSPHATE, Ribonuclease, SULFATE ION, ...
著者Sevcik, J, Bauerova-Hlinkova, V.
登録日2008-06-16
公開日2009-06-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: Hypothetical Protein TT0030
著者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)
登録日2006-09-19
公開日2006-11-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献CRYSTAL STRUCTURE OF TT0030 from Thermus Thermophilus AT 1.6 ANGSTROMS RESOLUTION
To be Published
3DH2
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BU of 3dh2 by Molmil
Crystal structure of ribonuclease Sa2 with guanosine-3'-cyclophosphate prepared by cocrystallization
分子名称: GUANOSINE-3'-MONOPHOSPHATE, Ribonuclease, SULFATE ION, ...
著者Sevcik, J, Bauerova-Hlinkova, V.
登録日2008-06-16
公開日2009-06-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of RNase Sa2 complexes with mononucleotides - new aspects of catalytic reaction and substrate recognition
Febs J., 276, 2009
8RWK
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BU of 8rwk by Molmil
cryoEM structure of the central Ald4 filament determined by FilamentID
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Potassium-activated aldehyde dehydrogenase, mitochondrial
著者Hugener, J, Xu, J, Wettstein, R, Ioannidi, L, Velikov, D, Wollweber, F, Henggeler, A, Matos, J, Pilhofer, M.
登録日2024-02-05
公開日2024-06-26
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献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.
分子名称: Protein traD, Relaxosome protein TraM
著者Glover, J.N.M, Lu, J, Wong, J.J, Edwards, R.A.
登録日2008-05-22
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献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
分子名称: (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
著者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)
登録日2011-05-31
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献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
分子名称: (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
著者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)
登録日2011-05-31
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献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
分子名称: CHLORIDE ION, Haloalkane dehalogenase
著者Lahoda, M, Stsiapanava, A, Mesters, J, Koudelakova, T, Damborsky, J, Kuta-Smatanova, I.
登録日2011-06-22
公開日2012-06-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献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
分子名称: ADENOSINE MONOPHOSPHATE, ADENYLOSUCCINATE LYASE, CHLORIDE ION, ...
著者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.
登録日2006-11-01
公開日2006-11-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 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
著者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.
登録日2020-06-03
公開日2020-07-01
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献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
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
著者Keller, A.N, Woolley, R.E, Rossjohn, J.
登録日2015-08-14
公開日2016-01-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献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
分子名称: PHYCOCYANOBILIN, Phytochrome A-2
著者Nagano, S, Hughes, J.
登録日2025-04-24
公開日2025-06-04
最終更新日2025-07-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: Tudor domain-containing protein 5, UNKNOWN ATOM OR ION
著者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)
登録日2011-05-31
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献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
分子名称: (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
著者Becker, C, Engel, J, Rauh, D.
登録日2016-04-11
公開日2016-08-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
分子名称: L-lactate dehydrogenase 1
著者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)
登録日2013-07-10
公開日2013-07-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献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
分子名称: GLYCEROL, MAGNESIUM ION, SPERMIDINE, ...
著者Mancheno, J.M, Anguita, J, Rodriguez, H.
登録日2020-04-16
公開日2021-03-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献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
分子名称: (2~{R})-1-methylpiperidine-2-carboxylic acid, (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V.
登録日2020-02-21
公開日2021-03-31
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献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
分子名称: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ADENOSINE, DIMETHYL SULFOXIDE, ...
著者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)
登録日2013-06-21
公開日2013-07-03
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称: (2~{R})-1-methylpiperidine-2-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V.
登録日2020-02-21
公開日2021-03-31
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.852 Å)
主引用文献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
分子名称: 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, ...
著者Xie, C, Zhu, J, Chen, X, Mi, L, Nishida, N, Springer, T.A.
登録日2009-10-11
公開日2010-01-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.95 Å)
主引用文献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
分子名称: 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
著者Li, J, Niu, F, Ouyang, S, Liu, Z.
登録日2015-08-06
公開日2016-08-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献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
分子名称: 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, ...
著者Keller, A.N, Rossjohn, J.
登録日2015-08-14
公開日2016-01-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献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
分子名称: CITRIC ACID, PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3
著者Stubbs, J, Tews, I, Maly, M.
登録日2024-02-19
公開日2024-02-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: CHLORIDE ION, Lysozyme C
著者Stubbs, J, Tews, I, Maly, M.
登録日2024-02-19
公開日2024-02-28
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Droplet microfluidics for time-resolved serial crystallography.
Iucrj, 11, 2024

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