7K21
 
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5J3V
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5NTT
 | | Crystal structure of human Mps1 (TTK) C604Y mutant in complex with NMS-P715 | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein kinase TTK, N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE | | Authors: | Hiruma, Y, Joosten, R.P, Perrakis, A. | | Deposit date: | 2017-04-28 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Understanding inhibitor resistance in Mps1 kinase through novel biophysical assays and structures.
J. Biol. Chem., 292, 2017
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4U82
 | | Structure of S. aureus undecaprenyl diphosphate synthase in complex with FSPP and sulfate | | Descriptor: | Isoprenyl transferase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ... | | Authors: | Zhu, W, Oldfield, E. | | Deposit date: | 2014-07-31 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
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3NKC
 | | Crystal structure of AqpZ F43W,H174G,T183F | | Descriptor: | Aquaporin Z, octyl beta-D-glucopyranoside | | Authors: | Savage, D.F, O'Connell III, J.D, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 2010-06-18 | | Release date: | 2010-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural context shapes the aquaporin selectivity filter.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4U86
 | | Human Pin1 with cysteine sulfonic acid 113 | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Li, W, Zhang, Y. | | Deposit date: | 2014-08-01 | | Release date: | 2015-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
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3NKS
 | | Structure of human protoporphyrinogen IX oxidase | | Descriptor: | 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Shen, Y. | | Deposit date: | 2010-06-21 | | Release date: | 2011-04-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insight into human variegate porphyria disease
Faseb J., 25, 2011
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5EUL
 | | Structure of the SecA-SecY complex with a translocating polypeptide substrate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AYC08, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Li, L, Park, E, Ling, J, Ingram, J, Ploegh, H, Rapoport, T.A. | | Deposit date: | 2015-11-18 | | Release date: | 2016-03-09 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Crystal structure of a substrate-engaged SecY protein-translocation channel.
Nature, 531, 2016
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3NCC
 | | A human Prolactin receptor antagonist in complex with the mutant extracellular domain H188A of the human prolactin receptor | | Descriptor: | CARBONATE ION, CHLORIDE ION, Prolactin, ... | | Authors: | Kulkarni, M.V, Tettamanzi, M.C, Murphy, J.W, Keeler, C, Myszka, D.G, Chayen, N.E, Lolis, E.J, Hodsdon, M.E. | | Deposit date: | 2010-06-04 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Two Independent Histidines, One in Human Prolactin and One in Its Receptor, Are Critical for pH-dependent Receptor Recognition and Activation.
J.Biol.Chem., 285, 2010
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6YX9
 | | Cryogenic human adiponectin receptor 2 (ADIPOR2) at 2.4 A resolution determined by Serial Crystallography (SSX) using CrystalDirect | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adiponectin receptor protein 2, GLYCEROL, ... | | Authors: | Healey, R.D, Basu, S, Humm, A.S, Leyrat, C, Dupeux, F, Pica, A, Granier, S, Marquez, J.A. | | Deposit date: | 2020-04-30 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.404 Å) | | Cite: | An automated platform for structural analysis of membrane proteins through serial crystallography.
Cell Rep Methods, 1, 2021
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4U8L
 | | Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant N207A | | Descriptor: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | | Deposit date: | 2014-08-03 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
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5NVK
 | | Crystal structure of the human 4EHP-GIGYF1 complex | | Descriptor: | Eukaryotic translation initiation factor 4E type 2, GRB10-interacting GYF protein 1 | | Authors: | Peter, D, Valkov, E. | | Deposit date: | 2017-05-04 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | GIGYF1/2 proteins use auxiliary sequences to selectively bind to 4EHP and repress target mRNA expression.
Genes Dev., 31, 2017
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3NLH
 | | Structure of endothelial nitric oxide synthase heme domain N368D mutant complexed with 6-{{(3'S,4'S)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Delker, S.L, Li, H, Poulos, T.L. | | Deposit date: | 2010-06-21 | | Release date: | 2010-11-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Exploration of the Active Site of Neuronal Nitric Oxide Synthase by the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives.
J.Med.Chem., 53, 2010
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3NLU
 | | Structure of endothelial nitric oxide synthase heme domain complexed with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Xue, F, Li, H, Fang, J, Delker, S.L, Poulos, T.L, Silverman, R.B. | | Deposit date: | 2010-06-21 | | Release date: | 2011-01-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase.
J.Am.Chem.Soc., 132, 2010
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6YXG
 | | Cryogenic human adiponectin receptor 2 (ADIPOR2) with Tb-XO4 ligand determined by Serial Crystallography (SSX) using CrystalDirect | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adiponectin receptor protein 2, OLEIC ACID, ... | | Authors: | Healey, R.D, Basu, S, Humm, A.S, Leyrat, C, Dupeux, F, Pica, A, Granier, S, Marquez, J.A. | | Deposit date: | 2020-05-01 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | An automated platform for structural analysis of membrane proteins through serial crystallography.
Cell Rep Methods, 1, 2021
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4UC1
 | | High resolution crystal structure of translocator protein 18kDa (TSPO) from Rhodobacter sphaeroides (A139T Mutant) in C2 space group | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11Z)-octadec-11-enoate, METHOXY-ETHOXYL, ... | | Authors: | Li, F, Liu, J, Zheng, Y, Garavito, R.M, Ferguson-Miller, S. | | Deposit date: | 2014-08-13 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism.
Science, 347, 2015
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6YXD
 | | Room temperature structure of human adiponectin receptor 2 (ADIPOR2) at 2.9 A resolution determined by Serial Crystallography (SSX) using CrystalDirect | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adiponectin receptor protein 2, GLYCEROL, ... | | Authors: | Healey, R.D, Basu, S, Humm, A.S, Leyrat, C, Dupeux, F, Pica, A, Granier, S, Marquez, J.A. | | Deposit date: | 2020-05-01 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | An automated platform for structural analysis of membrane proteins through serial crystallography.
Cell Rep Methods, 1, 2021
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6YXF
 | | Cryogenic human adiponectin receptor 2 (ADIPOR2) with Gd-DO3 ligand determined by Serial Crystallography (SSX) using CrystalDirect | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, Adiponectin receptor protein 2, ... | | Authors: | Healey, R.D, Basu, S, Humm, A.S, Leyrat, C, Dupeux, F, Pica, A, Granier, S, Marquez, J.A. | | Deposit date: | 2020-05-01 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.025 Å) | | Cite: | An automated platform for structural analysis of membrane proteins through serial crystallography.
Cell Rep Methods, 1, 2021
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5MZT
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5JJG
 | | Structure of magnesium-loaded ALG-2 | | Descriptor: | ISOPROPYL ALCOHOL, MAGNESIUM ION, Pcalcium-binding protein ALG-2, ... | | Authors: | Tanner, J.J. | | Deposit date: | 2016-04-23 | | Release date: | 2016-09-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | EF5 Is the High-Affinity Mg(2+) Site in ALG-2.
Biochemistry, 55, 2016
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4U3F
 | | Cytochrome bc1 complex from chicken with designed inhibitor bound | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CARDIOLIPIN, ... | | Authors: | Huang, L.-S, Zhu, X.-L, Yang, G.F, Berry, E.A. | | Deposit date: | 2014-07-21 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.2312 Å) | | Cite: | Rational Design of Highly Potent and Slow-Binding Cytochrome bc1 Inhibitor as Fungicide by Computational Substitution Optimization
Sci Rep, 5, 2015
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5J16
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5EP3
 | | Quorum-Sensing Signal Integrator LuxO - Catalytic Domain Bound to CV-133 Inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2,2-dimethylpropyl 2-[(3-oxidanylidene-5-sulfanylidene-2~{H}-1,2,4-triazin-6-yl)amino]ethanoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M. | | Deposit date: | 2015-11-11 | | Release date: | 2016-04-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO.
Plos Biol., 14, 2016
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6YXH
 | | Cryogenic human alkaline ceramidase 3 (ACER3) at 2.6 A resolution determined by Serial Crystallography (SSX) using CrystalDirect | | Descriptor: | Alkaline ceramidase 3, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Healey, R.D, Basu, S, Humm, A.S, Leyrat, C, Dupeux, F, Pica, A, Granier, S, Marquez, J.A. | | Deposit date: | 2020-05-01 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | An automated platform for structural analysis of membrane proteins through serial crystallography.
Cell Rep Methods, 1, 2021
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5N3W
 | | Crystal structure of LTA4H bound to a selective inhibitor against LTB4 generation | | Descriptor: | 3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol, ACETATE ION, IMIDAZOLE, ... | | Authors: | Wong, C.T, Low, C.M, Snelgrove, R.J, Hare, S.A. | | Deposit date: | 2017-02-09 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The development of novel LTA4H modulators to selectively target LTB4 generation.
Sci Rep, 7, 2017
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