4DOR
 
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4DCN
 | | Crystal Structure Analysis of the Arfaptin2 BAR domain in Complex with ARL1 | | Descriptor: | ADP-ribosylation factor-like protein 1, Arfaptin-2, MAGNESIUM ION, ... | | Authors: | Nakamura, K, Xie, Y, Kawasaki, M, Kato, R, Wakatsuki, S. | | Deposit date: | 2012-01-18 | | Release date: | 2012-06-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Structural basis for membrane binding specificity of the Bin/Amphiphysin/Rvs (BAR) domain of Arfaptin-2 determined by Arl1 GTPase
J.Biol.Chem., 287, 2012
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4DEI
 | | Crystal structure of c-Met in complex with triazolopyridinone inhibitor 24 | | Descriptor: | 3-{(1S)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one, Hepatocyte growth factor receptor | | Authors: | Whittington, D.A, Long, A.M. | | Deposit date: | 2012-01-20 | | Release date: | 2012-05-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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5J1S
 | | TorsinA-LULL1 complex, H. sapiens, bound to VHH-BS2 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Demircioglu, F.E, Schwartz, T.U. | | Deposit date: | 2016-03-29 | | Release date: | 2016-08-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.399 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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5J22
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS L103D at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Skerritt, L.A, Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B. | | Deposit date: | 2016-03-29 | | Release date: | 2016-04-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS L103D at cryogenic temperature
To be Published
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4DHO
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | Descriptor: | (2-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2012-01-30 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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4DJO
 | | Crystal Structure of wild-type HIV-1 Protease in Complex with MKP56 | | Descriptor: | 2-[(dichloroacetyl)amino]ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, ACETATE ION, GLYCEROL, ... | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2012-02-02 | | Release date: | 2012-08-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance.
J.Med.Chem., 55, 2012
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3C8H
 | | Crystal structure of the enterobactin esterase FES from Shigella flexneri in the presence of 2,3-Di-hydroxy-N-benzoyl-serine | | Descriptor: | Enterochelin esterase | | Authors: | Kim, Y, Maltseva, N, Abergel, R, Holzle, D, Raymond, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-02-12 | | Release date: | 2008-02-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Siderophore Mediated Iron Acquisition: Structure and Specificity of Enterobactin Esterase from Shigella flexneri.
To be Published
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4DNR
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4DJQ
 | | Crystal Structure of wild-type HIV-1 Protease in Complex with MKP86 | | Descriptor: | 2-(2-oxoimidazolidin-1-yl)ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, PHOSPHATE ION, Pol polyprotein | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2012-02-02 | | Release date: | 2012-08-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance.
J.Med.Chem., 55, 2012
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4LOG
 | | The crystal structure of the orphan nuclear receptor PNR ligand binding domain fused with MBP | | Descriptor: | Maltose ABC transporter periplasmic protein and NR2E3 protein chimeric construct | | Authors: | Tan, M.E, Zhou, X.E, Soon, F.-F, Li, X, Li, J, Yong, E.-L, Melcher, K, Xu, H.E. | | Deposit date: | 2013-07-12 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Crystal Structure of the Orphan Nuclear Receptor NR2E3/PNR Ligand Binding Domain Reveals a Dimeric Auto-Repressed Conformation.
Plos One, 8, 2013
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4DOQ
 | | Crystal structure of the complex of Porcine Pancreatic Trypsin with 1/2SLPI | | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Antileukoproteinase, CALCIUM ION, ... | | Authors: | Fukushima, K, Takimoto-Kamimura, M. | | Deposit date: | 2012-02-10 | | Release date: | 2013-08-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure basis 1/2SLPI and porcine pancreas trypsin interaction
J.SYNCHROTRON RADIAT., 20, 2013
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4DK8
 | | Crystal structure of LXR ligand binding domain in complex with partial agonist 5 | | Descriptor: | ACETATE ION, CALCIUM ION, N-methyl-N-(4-{(1S)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide, ... | | Authors: | Piper, D.E, Kopecky, D.J, Xu, H. | | Deposit date: | 2012-02-03 | | Release date: | 2012-03-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Discovery of a new binding mode for a series of liver X receptor agonists.
Bioorg.Med.Chem.Lett., 22, 2012
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5IX7
 | | Crystal structure of metallo-DNA nanowire with infinite one-dimensional silver array | | Descriptor: | DNA (5'-D(*GP*GP*AP*CP*TP*(CBR)P*GP*AP*CP*TP*CP*C)-3'), POTASSIUM ION, SILVER ION | | Authors: | Kondo, J, Tada, Y, Dairaku, T, Hattori, Y, Saneyoshi, H, Ono, A, Tanaka, Y. | | Deposit date: | 2016-03-23 | | Release date: | 2017-07-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.398 Å) | | Cite: | A metallo-DNA nanowire with uninterrupted one-dimensional silver array
Nat Chem, 9, 2017
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4W4O
 | | High-resolution crystal structure of Fc bound to its human receptor Fc-gamma-RI | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ... | | Authors: | Caaveiro, J.M.M, Kiyoshi, M, Tsumoto, K. | | Deposit date: | 2014-08-15 | | Release date: | 2015-04-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for binding of human IgG1 to its high-affinity human receptor Fc gamma RI
Nat Commun, 6, 2015
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4DLS
 | | H-Ras Set 1 CaCl2 'Mixed' | | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Holzapfel, G, Mattos, C. | | Deposit date: | 2012-02-06 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.819 Å) | | Cite: | Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
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4DR0
 | | Crystal structure of Bacillus subtilis dimanganese(II) NrdF | | Descriptor: | MANGANESE (II) ION, Ribonucleoside-diphosphate reductase subunit beta, SULFATE ION | | Authors: | Boal, A.K, Cotruvo Jr, J.A, Stubbe, J, Rosenzweig, A.C. | | Deposit date: | 2012-02-16 | | Release date: | 2012-04-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Dimanganese(II) Site of Bacillus subtilis Class Ib Ribonucleotide Reductase.
Biochemistry, 51, 2012
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8OXA
 | | Cryo-EM structure of ATP8B1-CDC50A in E2-Pi conformation with occluded PS | | Descriptor: | (2~{S})-2-azanyl-3-[[(2~{R})-3-hexadecanoyloxy-2-[(~{Z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ... | | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | | Deposit date: | 2023-05-01 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
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6POP
 | | Crystal structure of DauA in complex with NADP+ | | Descriptor: | 1,2-ETHANEDIOL, Aldehyde dehydrogenase, MAGNESIUM ION, ... | | Authors: | Pluvinage, B, Boraston, A.B. | | Deposit date: | 2019-07-04 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.147 Å) | | Cite: | Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
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4DRM
 | | EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | | Authors: | Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F. | | Deposit date: | 2012-02-17 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
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4DRT
 | | Three dimensional structure of de novo designed serine hydrolase OSH26, Northeast Structural Genomics Consortium (NESG) target OR89 | | Descriptor: | CHLORIDE ION, SODIUM ION, de novo designed serine hydrolase, ... | | Authors: | Kuzin, A, Su, M, Rajagopalan, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-02-17 | | Release date: | 2012-04-18 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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5J13
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4DON
 | | Brd4 Bromodomain 1 complex with a fragment 3,4-Dihydro-3-methyl-2(1H)-quinazolinon | | Descriptor: | 3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4 | | Authors: | Xiong, B, Cao, D.Y, Chen, W.Y, Chen, T.T, Xu, Y.C, Shen, J.K. | | Deposit date: | 2012-02-09 | | Release date: | 2013-02-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Brd4 Bromodomain 1 complex with a fragment 3,4-Dihydro-3-methyl-2(1H)-quinazolinon
To be Published
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8OX6
 | | Cryo-EM structure of ATP8B1-CDC50A in E1P conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, MAGNESIUM ION, ... | | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | | Deposit date: | 2023-05-01 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.39 Å) | | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
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8OX8
 | | Cryo-EM structure of ATP8B1-CDC50A in E2P autoinhibited "open" conformation | | Descriptor: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ... | | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | | Deposit date: | 2023-05-01 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
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