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3DRI
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BU of 3dri by Molmil
Crystal structure of Lactococcal OppA co-crystallized with an octamer peptide in an open conformation
分子名称: Oligopeptide-binding protein oppA, peptide AASASA
著者Berntsson, R.P.-A, Doeven, M.K, Duurkens, R.H, Sengupta, D, Marrink, S.-J, Thunnissen, A.-M, Poolman, B, Slotboom, D.-J.
登録日2008-07-11
公開日2009-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structural basis for peptide selection by the transport receptor OppA
Embo J., 28, 2009
8AB2
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BU of 8ab2 by Molmil
Crystal Structure of the Lactate Dehydrogenase of Cyanobacterium Aponinum in its apo form.
分子名称: 1,2-ETHANEDIOL, L-lactate dehydrogenase, TERBIUM(III) ION, ...
著者Robin, A.Y, Girard, E, Madern, D.
登録日2022-07-04
公開日2022-08-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Deciphering Evolutionary Trajectories of Lactate Dehydrogenases Provides New Insights into Allostery.
Mol.Biol.Evol., 40, 2023
6SS1
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BU of 6ss1 by Molmil
Kemp Eliminase HG3.17 mutant Q50A, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
分子名称: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.17 Q50A, E47N,N300D Complexed with Transition State Analog 6-Nitrobenzotriazole, ...
著者Bloch, J.S, Pinkas, D.M, Hilvert, D.
登録日2019-09-06
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
3IKG
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BU of 3ikg by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
分子名称: (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Parge, H, Ferre, R.A, Greasley, S, Matthews, D.
登録日2009-08-05
公開日2009-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
8AUT
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BU of 8aut by Molmil
WelO5* L221A bound to Zn(II), Cl, 2-oxoglutarate, and 12-epi-hapalindole C
分子名称: 2-OXOGLUTARIC ACID, 3-[(1~{S},2~{R},3~{S},6~{S})-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-yl-cyclohexyl]-1~{H}-indole, CHLORIDE ION, ...
著者Buller, R, Hueppi, S, Voss, M, Schaub, D.
登録日2022-08-25
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.685 Å)
主引用文献Enzyme engineering enables inversion of substrate stereopreference of the halogenase WelO5*
Chemcatchem, 2022
6STB
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BU of 6stb by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, Q64W mutant
分子名称: Major strawberry allergen Fra a 1-2
著者Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
登録日2019-09-10
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
2N2T
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BU of 2n2t by Molmil
Solution NMR Structure of DE NOVO DESIGNED PROTEIN (FDA_60), Northeast Structural Genomics Consortium (NESG) Target OR303
分子名称: OR303
著者Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Hamilton, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2015-05-14
公開日2015-09-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of DE NOVO DESIGNED PROTEIN (FDA_60), Northeast Structural Genomics Consortium (NESG) Target OR303
To be Published
6SU6
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BU of 6su6 by Molmil
Complex between a UDP-glucosyltransferase from Polygonum tinctorium capable of glucosylating indoxyl and UDP-glucose
分子名称: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Fredslund, F, Teze, D, Svensson, B, Adams, P.D, Welner, D.H.
登録日2019-09-13
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献O-/N-/S-Specificity in Glycosyltransferase Catalysis: From Mechanistic Understanding to Engineering
Acs Catalysis, 11, 2021
8AF7
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BU of 8af7 by Molmil
Room temperature SSX crystal structure of CTX-M-14 (10K dataset)
分子名称: Beta-lactamase, SULFATE ION
著者Oberthuer, D, Perbandt, M, Prester, A, Rohde, H, Betzel, C, Yefanov, O.
登録日2022-07-15
公開日2022-11-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
3DO9
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BU of 3do9 by Molmil
Crystal structure of protein ba1542 from bacillus anthracis str.ames
分子名称: UPF0302 protein BA_1542/GBAA1542/BAS1430
著者Patskovsky, Y, Ozyurt, S, Freeman, J, Iizuka, M, Maletic, M, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-07-03
公開日2008-09-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structure of Protein Ba1542 from Bacillus Anthracis Str.Ames.
To be Published
8AF6
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BU of 8af6 by Molmil
Room temperature SSX structure of GH11 xylanase from Nectria haematococca (4000 frames)
分子名称: Endo-1,4-beta-xylanase
著者Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K.
登録日2022-07-15
公開日2022-11-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
3IP8
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BU of 3ip8 by Molmil
Crystal structure of arylmalonate decarboxylase (AMDase) from Bordatella bronchiseptic in complex with benzylphosphonate
分子名称: Arylmalonate decarboxylase, benzylphosphonic acid
著者Okrasa, K, Levy, C, Leys, D, Micklefield, J.
登録日2009-08-17
公開日2009-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Structure-Guided Directed Evolution of Alkenyl and Arylmalonate Decarboxylases.
Angew.Chem.Int.Ed.Engl., 48, 2009
3DRJ
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BU of 3drj by Molmil
Crystal structure of Lactococcal OppA co-crystallized with pTH-related peptide in an open conformation
分子名称: Oligopeptide-binding protein oppA, pTH-related peptide
著者Berntsson, R.P.-A, Doeven, M.K, Duurkens, R.H, Sengupta, D, Marrink, S.-J, Thunnissen, A.-M, Poolman, B, Slotboom, D.-J.
登録日2008-07-11
公開日2009-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The structural basis for peptide selection by the transport receptor OppA
Embo J., 28, 2009
6SYK
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BU of 6syk by Molmil
Guanine-rich oligonucleotide with 5'- and 3'-GC ends form G-quadruplex with A(GGGG)A hexad, GCGC- and G-quartets and two symmetric GG and AA base pair
分子名称: GCnCG
著者Pavc, D, Wang, B, Spindler, L, Drevensek-Olenik, I, Plavec, J, Sket, P.
登録日2019-09-30
公開日2020-07-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献GC ends control topology of DNA G-quadruplexes and their cation-dependent assembly.
Nucleic Acids Res., 48, 2020
2N3Z
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BU of 2n3z by Molmil
Solution NMR Structure of de novo designed protein, Rossmann2x2 Fold, Northeast Structural Genomics Consortium (NESG) Target OR446
分子名称: OR446
著者Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2015-06-15
公開日2015-09-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of DE NOVO DESIGNED PROTEIN, Rossmann2x2 Fold, Northeast Structural Genomics Consortium (NESG) Target OR446
To be Published
2MQ8
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BU of 2mq8 by Molmil
Solution NMR Structure of De novo designed protein LFR1 1 with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR414
分子名称: De novo designed protein LFR1
著者Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2014-06-12
公開日2014-08-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Control over overall shape and size in de novo designed proteins.
Proc.Natl.Acad.Sci.USA, 112, 2015
3IS5
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BU of 3is5 by Molmil
Crystal structure of CDPK kinase domain from toxoplasma Gondii, TGME49_018720
分子名称: CALCIUM ION, Calcium-dependent protein kinase, GLYCEROL, ...
著者Wernimont, A.K, Artz, J.D, Senisterra, G, MacKenzie, F, Hutchinson, A, Kozieradzki, I, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC)
登録日2009-08-25
公開日2009-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of CDPK kinase domain from toxoplasma Gondii, TGME49_018720
To be Published
6SZY
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BU of 6szy by Molmil
Crystal structure of YTHDC1 with fragment 12 (DHU_DC1_150)
分子名称: 4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6T04
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BU of 6t04 by Molmil
Crystal structure of YTHDC1 with fragment 17 (DHU_DC1_042)
分子名称: 2-phenyl-4,5-dihydro-1~{H}-imidazole, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
3ITB
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BU of 3itb by Molmil
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in complex with a substrate fragment
分子名称: D-alanyl-D-alanine carboxypeptidase DacC, Peptidoglycan substrate (AMV)A(FGA)K(DAL)(DAL), SULFATE ION, ...
著者Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K.
登録日2009-08-27
公開日2009-10-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
1DZ6
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BU of 1dz6 by Molmil
ferrous p450cam from pseudomonas putida
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ...
著者Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G.
登録日2000-02-18
公開日2000-03-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution
Science, 287, 2000
2MV0
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BU of 2mv0 by Molmil
Solution NMR Structure of Maltose-binding protein from Escherichia coli, Northeast Structural Genomics Consortium (NESG) Target ER690
分子名称: Maltose-binding periplasmic protein
著者Rossi, P, Lange, O.F, Sgourakis, N.G, Song, Y, Lee, H, Aramini, J.M, Ertekin, A, Xiao, R, Acton, T.B, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2014-09-18
公開日2014-12-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples.
Proc.Natl.Acad.Sci.USA, 109, 2012
1E44
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BU of 1e44 by Molmil
ribonuclease domain of colicin E3 in complex with its immunity protein
分子名称: 1,2-ETHANEDIOL, COLICIN E3, IMMUNITY PROTEIN
著者Carr, S, Walker, D, James, R, Kleanthous, C, Hemmings, A.M.
登録日2000-06-28
公開日2001-06-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Inhibition of a Ribosome Inactivating Ribonuclease: The Crystal Structure of the Cytotoxic Domain of Colicin E3 in Complex with its Immunity Protein
Structure, 8, 2000
6T12
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BU of 6t12 by Molmil
Crystal structure of YTHDC1 with fragment 30 (DHU_DC1_220)
分子名称: SULFATE ION, YTHDC1, ~{N},2,3-trimethyl-1~{H}-indole-5-carboxamide
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-03
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
3DWC
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BU of 3dwc by Molmil
Trypanosoma Cruzi Metallocarboxypeptidase 1
分子名称: ALANINE, COBALT (II) ION, GLYCEROL, ...
著者Niemirowicz, G, Fernandez, D, Sola, M, Cazzulo, J.J, Aviles, F.X, Gomis-Ruth, F.X.
登録日2008-07-22
公開日2008-09-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The molecular analysis of Trypanosoma cruzi metallocarboxypeptidase 1 provides insight into fold and substrate specificity
Mol.Microbiol., 70, 2008

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