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3UC8
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Trp-cage cyclo-TC1 - tetragonal crystal form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, cyclo-TC1
著者Scian, M, Le Trong, I, Stenkamp, R.E, Andersen, N.H.
登録日2011-10-26
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UCJ
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Coccomyxa beta-carbonic anhydrase in complex with acetazolamide
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CHLORIDE ION, Carbonic anhydrase, ...
著者Huang, S, Hainzl, T, Sauer-Eriksson, A.E.
登録日2011-10-27
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural studies of [beta]-carbonic anhydrase from the green alga Coccomyxa: inhibitor complexes with anions and acetazolamide.
Plos One, 6, 2011
4O7M
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Crystal structure of a trap periplasmic solute binding protein from shewanella loihica PV-4, target EFI-510273, with bound L-malate
分子名称: (2S)-2-hydroxybutanedioic acid, SULFATE ION, TRAP dicarboxylate transporter, ...
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-12-25
公開日2014-03-05
最終更新日2015-02-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
6PXD
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BU of 6pxd by Molmil
CryoEM structure of zebra fish alpha-1 glycine receptor, Apo state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glycine receptor subunit alphaZ1
著者Du, J, Lu, W, Gouaux, E.
登録日2019-07-25
公開日2021-02-10
最終更新日2022-08-24
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Mechanism of gating and partial agonist action in the glycine receptor.
Cell, 184, 2021
6Z4C
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The structure of the N-terminal domain of RssB from E. coli
分子名称: Regulator of RpoS
著者Zeth, K, Dimce, M, Terrence, D.M, Schuenemann, V, Dougan, D.
登録日2020-05-25
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insight into the RssB-Mediated Recognition and Delivery of sigma s to the AAA+ Protease, ClpXP.
Biomolecules, 10, 2020
4OCZ
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Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-isobutyrylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
分子名称: 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
著者Lee, K.S.S, Liu, J, Wagner, K.M, Pakhomova, S, Dong, H, Morriseau, C, Fu, S.H, Yang, J, Wang, P, Ulu, A, Mate, C, Nguyen, L, Wullf, H, Eldin, M.L, Mara, A.A, Newcomer, M.E, Zeldin, D.C, Hammock, B.D.
登録日2014-01-09
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy.
J.Med.Chem., 57, 2014
3UEH
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BU of 3ueh by Molmil
Crystal structure of human Survivin H80A mutant
分子名称: 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 5, DI(HYDROXYETHYL)ETHER, ...
著者Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W.
登録日2011-10-30
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres.
Mol Biol Cell, 23, 2012
6DKF
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Caseinolytic protease (ClpP) from Staphylococcus aureus mutant - V7A
分子名称: ATP-dependent Clp protease proteolytic subunit
著者Ripstein, Z.A, Vahidi, S, Kay, L.E, Rubinstein, J.L.
登録日2018-05-29
公開日2018-06-27
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Reversible inhibition of the ClpP protease via an N-terminal conformational switch.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3UF0
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Crystal structure of a putative NAD(P) dependent gluconate 5-dehydrogenase from Beutenbergia cavernae(EFI target EFI-502044) with bound NADP (low occupancy)
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR
著者Vetting, M.W, Toro, R, Bhosle, R, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2011-10-31
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a putative NAD(P) dependent gluconate 5-dehydrogenase from Beutenbergia cavernae(EFI target EFI-502044) with bound NADP (low occupancy)
To be Published
5D9R
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Crystal structure of a conserved domain in the intermembrane space region of the plastid division protein ARC6
分子名称: Protein ACCUMULATION AND REPLICATION OF CHLOROPLASTS 6, chloroplastic
著者Radhakrishnan, A, Kumar, N, Su, C.-C, Chou, T.-H, Yu, E.
登録日2015-08-18
公開日2015-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献Crystal structure of a conserved domain in the intermembrane space region of the plastid division protein ARC6.
Protein Sci., 25, 2016
3UQP
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Crystal structure of Bace1 with its inhibitor
分子名称: Beta-secretase 1, METHYL (2R)-1-[(6S,9S,12S,13S,17S,20S,23R)-9-(3-AMINO-3-OXOPROPYL)-12,23-DIBENZYL-13-HYDROXY-2,2,8,20,22-PENTAMETHYL-17-(2-METHYLPROPYL)-4,7,10,15,18,21,24-HEPTAOXO-6-(PROPAN-2-YL)-3-OXA-5,8,11,16,19,22-HEXAAZATETRACOSAN-24-YL]PYRROLIDINE-2-CARBOXYLATE, SULFATE ION
著者Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C.
登録日2011-11-21
公開日2012-11-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
3USJ
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Crystal structure of LeuT bound to L-leucine in space group P21 from lipid bicelles
分子名称: LEUCINE, SODIUM ION, Transporter
著者Wang, H, Elferich, J, Gouaux, E.
登録日2011-11-23
公開日2012-01-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structures of LeuT in bicelles define conformation and substrate binding in a membrane-like context.
Nat.Struct.Mol.Biol., 19, 2012
3UMK
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BU of 3umk by Molmil
X-ray structure of the E2 domain of the human amyloid precursor protein (APP) in complex with copper
分子名称: ACETATE ION, Amyloid beta A4 protein, CADMIUM ION, ...
著者Dahms, S.O, Konnig, I, Roeser, D, Guhrs, K.H, Than, M.E.
登録日2011-11-13
公開日2012-01-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Metal Binding Dictates Conformation and Function of the Amyloid Precursor Protein (APP) E2 Domain.
J.Mol.Biol., 416, 2012
4O74
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Crystal structure of the first bromodomain of human BRD4 in complex with BI 2536
分子名称: 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4, ...
著者Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
3UD6
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Structural analyses of covalent enzyme-substrate analogue complexes reveal strengths and limitations of de novo enzyme design
分子名称: 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, RETRO-ALDOLASE, SULFATE ION
著者Baker, D, Stoddard, B.L, Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J, Hilvert, D.
登録日2011-10-27
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.091 Å)
主引用文献Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
3USK
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BU of 3usk by Molmil
Crystal structure of LeuT bound to L-leucine in space group P21 from lipid bicelles
分子名称: LEUCINE, SODIUM ION, Transporter
著者Wang, H, Elferich, J, Gouaux, E.
登録日2011-11-23
公開日2012-01-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Structures of LeuT in bicelles define conformation and substrate binding in a membrane-like context.
Nat.Struct.Mol.Biol., 19, 2012
4O9A
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Crystal structure of Beta-ketothiolase (PhaA) from Ralstonia eutropha H16
分子名称: Acetyl-CoA acetyltransferase
著者Kim, E.J, Kim, J, Kim, S, Kim, K.J.
登録日2014-01-02
公開日2015-02-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Crystal structure and biochemical characterization of PhaA from Ralstonia eutropha, a polyhydroxyalkanoate-producing bacterium.
Biochem.Biophys.Res.Commun., 452, 2014
3UG9
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Crystal Structure of the Closed State of Channelrhodopsin
分子名称: Archaeal-type opsin 1, Archaeal-type opsin 2, OLEIC ACID, ...
著者Kato, H.E, Ishitani, R, Nureki, O.
登録日2011-11-02
公開日2012-01-25
最終更新日2017-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the channelrhodopsin light-gated cation channel
Nature, 482, 2012
1MEK
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HUMAN PROTEIN DISULFIDE ISOMERASE, NMR, 40 STRUCTURES
分子名称: PROTEIN DISULFIDE ISOMERASE
著者Kemmink, J, Darby, N.J, Dijkstra, K, Nilges, M, Creighton, T.E.
登録日1996-04-16
公開日1997-04-21
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Structure determination of the N-terminal thioredoxin-like domain of protein disulfide isomerase using multidimensional heteronuclear 13C/15N NMR spectroscopy.
Biochemistry, 35, 1996
6DLU
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Cryo-EM of the GMPPCP-bound human dynamin-1 polymer assembled on the membrane in the constricted state
分子名称: Dynamin-1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
著者Kong, L, Wang, H, Fang, S, Canagarajah, B, Kehr, A.D, Rice, W.J, Hinshaw, J.E.
登録日2018-06-02
公開日2018-08-01
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Cryo-EM of the dynamin polymer assembled on lipid membrane.
Nature, 560, 2018
6DMR
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Lipid-bound full-length rbTRPV5
分子名称: Transient receptor potential cation channel subfamily V member 5
著者Hughes, T.E.T, Pumroy, R.A, Moiseenkova-Bell, V.Y.
登録日2018-06-05
公開日2018-10-24
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural insights on TRPV5 gating by endogenous modulators.
Nat Commun, 9, 2018
4OVL
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Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 3-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]benzoic acid, ACETIC ACID, ...
著者Peat, T.S.
登録日2013-11-21
公開日2014-03-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interrogating HIV integrase for compounds that bind--a SAMPL challenge.
J. Comput. Aided Mol. Des., 28, 2014
3UOD
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Aurora A in complex with RPM1693
分子名称: 1,2-ETHANEDIOL, 4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid, Aurora kinase A, ...
著者Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
登録日2011-11-16
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5002 Å)
主引用文献A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
5D1Y
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Low resolution crystal structure of human ribonucleotide reductase alpha6 hexamer in complex with dATP
分子名称: Ribonucleoside-diphosphate reductase large subunit
著者Ando, N, Li, H, Brignole, E.J, Thompson, S, McLaughlin, M.I, Page, J, Asturias, F, Stubbe, J, Drennan, C.L.
登録日2015-08-04
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (9.005 Å)
主引用文献Allosteric Inhibition of Human Ribonucleotide Reductase by dATP Entails the Stabilization of a Hexamer.
Biochemistry, 55, 2016
4ODQ
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Structure of SlyD delta-IF from Thermus thermophilus in complex with S3 peptide
分子名称: 30S ribosomal protein S3, CALCIUM ION, CHLORIDE ION, ...
著者Quistgaard, E.M, Low, C, Nordlund, P.
登録日2014-01-10
公開日2015-01-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular insights into substrate recognition and catalytic mechanism of the chaperone and FKBP peptidyl-prolyl isomerase SlyD.
BMC Biol., 14, 2016

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