6AST
 
 | | NMR and Restrained Molecular Dynamics Determination of the Structure of an Aza-Benzimidazole Derivative Complex with the DNA Minor Groove of an -AAGATA Sequence | | Descriptor: | DNA (5'-D(*CP*CP*AP*AP*GP*AP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*TP*CP*TP*TP*GP*G)-3'), amino(4-{[(2-{4-[amino(iminio)methyl]phenyl}-3H-imidazo[4,5-b]pyridin-5-yl)oxy]methyl}phenyl)methaniminium | | Authors: | Harika, N.K, Germann, M.W, Wilson, W.D. | | Deposit date: | 2017-08-25 | | Release date: | 2018-01-31 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | First Structure of a Designed Minor Groove Binding Heterocyclic Cation that Specifically Recognizes Mixed DNA Base Pair Sequences.
Chemistry, 23, 2017
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1P7R
 | | CRYSTAL STRUCTURE OF REDUCED, CO-EXPOSED COMPLEX OF CYTOCHROME P450CAM WITH (S)-(-)-NICOTINE | | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Strickler, M, Goldstein, B.M, Maxfield, K, Shireman, L, Kim, G, Matteson, D, Jones, J.P. | | Deposit date: | 2003-05-05 | | Release date: | 2003-10-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystallographic Studies on the Complex Behavior of Nicotine Binding to P450cam (CYP101)(dagger).
Biochemistry, 42, 2003
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6AUT
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(3-(Dimethylamino)propyl)-5-fluorophenethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
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5JB1
 | | Pseudo-atomic structure of Human Papillomavirus Type 59 L1 Virus-like Particle | | Descriptor: | Major capsid protein L1 | | Authors: | Li, Z.H, Yan, X.D, Yu, H, Zheng, Q.B, Gu, Y, Li, S.W. | | Deposit date: | 2016-04-13 | | Release date: | 2016-05-18 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | The C-Terminal Arm of the Human Papillomavirus Major Capsid Protein Is Immunogenic and Involved in Virus-Host Interaction.
Structure, 24, 2016
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6BCJ
 | | cryo-EM structure of TRPM4 in apo state with short coiled coil at 3.1 angstrom resolution | | Descriptor: | SODIUM ION, Transient receptor potential cation channel subfamily M member 4 | | Authors: | Guo, J, She, J, Chen, Q, Bai, X, Jiang, Y. | | Deposit date: | 2017-10-20 | | Release date: | 2017-12-13 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Structures of the calcium-activated, non-selective cation channel TRPM4.
Nature, 552, 2017
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5JBT
 | | Mesotrypsin in complex with cleaved amyloid precursor like protein 2 inhibitor (APLP2) | | Descriptor: | Amyloid-like protein 2, CALCIUM ION, PRSS3 protein, ... | | Authors: | Kayode, O, Wang, R, Pendlebury, D, Soares, A, Radisky, E.S. | | Deposit date: | 2016-04-13 | | Release date: | 2016-11-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An Acrobatic Substrate Metamorphosis Reveals a Requirement for Substrate Conformational Dynamics in Trypsin Proteolysis.
J. Biol. Chem., 291, 2016
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3EYC
 | | New crystal structure of human tear lipocalin in complex with 1,4-butanediol in space group P21 | | Descriptor: | 1,4-BUTANEDIOL, Lipocalin-1 | | Authors: | Breustedt, D.A, Keil, L, Skerra, A. | | Deposit date: | 2008-10-20 | | Release date: | 2009-10-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A new crystal form of human tear lipocalin reveals high flexibility in the loop region and induced fit in the ligand cavity
Acta Crystallogr.,Sect.D, 65, 2009
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5JHP
 | | Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) L179A and I195A mutant in complex with rice D53 repressor EAR peptide motif | | Descriptor: | Protein TPR1, The rice D53 EAR peptide (794-808) | | Authors: | Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K. | | Deposit date: | 2016-04-21 | | Release date: | 2017-07-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex.
Sci Adv, 3, 2017
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6OI8
 | | Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with 7-((1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-chloro-6-(pyridin-3-yl)phenyl)pyrido[2,3-d]pyrimidin-2-amine | | Descriptor: | 1,2-ETHANEDIOL, 7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine, Biotin carboxylase | | Authors: | Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F. | | Deposit date: | 2019-04-09 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Optimization and Mechanistic Characterization of Pyridopyrimidine Inhibitors of Bacterial Biotin Carboxylase.
J.Med.Chem., 62, 2019
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2OGS
 | | Crystal Structure of the GEOBACILLUS STEAROTHERMOPHILUS Carboxylesterase EST55 at pH 6.2 | | Descriptor: | IODIDE ION, Thermostable carboxylesterase Est50 | | Authors: | Liu, P, Ewis, H.E, Tai, P.C, Lu, C.D, Weber, I.T. | | Deposit date: | 2007-01-08 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Crystal Structure of the Geobacillus stearothermophilus Carboxylesterase Est55 and Its Activation of Prodrug CPT-11.
J.Mol.Biol., 367, 2007
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1OXS
 | | Crystal structure of GlcV, the ABC-ATPase of the glucose ABC transporter from Sulfolobus solfataricus | | Descriptor: | ABC transporter, ATP binding protein, IODIDE ION | | Authors: | Verdon, G, Albers, S.V, Dijkstra, B.W, Driessen, A.J, Thunnissen, A.M. | | Deposit date: | 2003-04-03 | | Release date: | 2003-06-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structures of the ATPase subunit of the glucose ABC transporter from Sulfolobus solfataricus:
nucleotide-free and nucleotide-bound conformations
J.Mol.Biol., 330, 2003
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5ITQ
 | | Crystal Structure of Human NEIL1, Free Protein | | Descriptor: | Endonuclease 8-like 1 | | Authors: | Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C. | | Deposit date: | 2016-03-17 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair
Proc.Natl.Acad.Sci.USA, 113, 2016
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5IY5
 | | Electron transfer complex of cytochrome c and cytochrome c oxidase at 2.0 angstrom resolution | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Shimada, S, Baba, J, Aoe, S, Shimada, A, Yamashita, E, Tsukihara, T. | | Deposit date: | 2016-03-24 | | Release date: | 2017-01-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Complex structure of cytochrome c-cytochrome c oxidase reveals a novel protein-protein interaction mode
EMBO J., 36, 2017
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6AUX
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(2-(5-Fluoro-3'-((methylamino)methyl)-[1,1'-biphenyl]-3-yl)ethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
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6AV7
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with HW69 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.916 Å) | | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
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5J1T
 | | TorsinAdeltaE-LULL1 complex, H. sapiens, bound to VHH-BS2 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Demircioglu, F.E, Schwartz, T.U. | | Deposit date: | 2016-03-29 | | Release date: | 2016-08-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.402 Å) | | Cite: | Structures of TorsinA and its disease-mutant complexed with an activator reveal the molecular basis for primary dystonia.
Elife, 5, 2016
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3D4C
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5IU7
 | | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12c at 1.9A resolution | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(furan-2-yl)-N~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine, ... | | Authors: | Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M. | | Deposit date: | 2016-03-17 | | Release date: | 2016-06-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
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6BF8
 | | Cryo-EM structure of human insulin degrading enzyme in complex with insulin | | Descriptor: | Insulin-degrading enzyme | | Authors: | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | | Deposit date: | 2017-10-26 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
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5IUY
 | | Structural insights of the outer-membrane channel OprN | | Descriptor: | CHLORIDE ION, FORMIC ACID, Multidrug efflux outer membrane protein OprN, ... | | Authors: | Ntsogo, Y, Garnier, C, Phan, G, Monlezun, L, Benas, P, Broutin, I. | | Deposit date: | 2016-03-18 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Xenon for tunnelling analysis of the efflux pump component OprN.
PLoS ONE, 12, 2017
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5IVO
 | | BC2 nanobody | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BC2-nanobody | | Authors: | Braun, M.B, Stehle, T. | | Deposit date: | 2016-03-21 | | Release date: | 2016-04-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Peptides in headlock - a novel high-affinity and versatile peptide-binding nanobody for proteomics and microscopy.
Sci Rep, 6, 2016
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3D7H
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6B7Y
 | | Cryo-EM structure of human insulin degrading enzyme | | Descriptor: | Insulin-degrading enzyme | | Authors: | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | | Deposit date: | 2017-10-05 | | Release date: | 2017-11-08 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (6.5 Å) | | Cite: | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
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2OB2
 | | ppm1 in the absence of 1,8-ANS (cf 1JD) | | Descriptor: | GLYCEROL, Leucine carboxyl methyltransferase 1, PHOSPHATE ION, ... | | Authors: | Groves, M.R, Mueller, I.B, Kreplin, X, Mueller-Dieckmann, J. | | Deposit date: | 2006-12-18 | | Release date: | 2007-01-30 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | A method for the general identification of protein crystals in crystallization experiments using a noncovalent fluorescent dye.
Acta Crystallogr.,Sect.D, 63, 2007
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6EWV
 | | Solution Structure of Docking Domain Complex of RXP NRPS: Kj12C NDD - Kj12B CDD | | Descriptor: | NRPS Kj12C-NDD, NRPS Kj12B-CDD | | Authors: | Hacker, C, Cai, X, Kegler, C, Zhao, L, Weickhmann, A.K, Bode, H.B, Woehnert, J. | | Deposit date: | 2017-11-06 | | Release date: | 2018-10-31 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structure-based redesign of docking domain interactions modulates the product spectrum of a rhabdopeptide-synthesizing NRPS.
Nat Commun, 9, 2018
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