6M17
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![BU of 6m17 by Molmil](/molmil-images/mine/6m17) | The 2019-nCoV RBD/ACE2-B0AT1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Guo, Y.Y, Zhou, Q. | Deposit date: | 2020-02-24 | Release date: | 2020-03-11 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2. Science, 367, 2020
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4F6V
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![BU of 4f6v by Molmil](/molmil-images/mine/4f6v) | Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1034, mg2+ and fmp. | Descriptor: | (2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate, 2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid, Dehydrosqualene synthase, ... | Authors: | Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E. | Deposit date: | 2012-05-15 | Release date: | 2012-06-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis. ACS Med Chem Lett, 3, 2012
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4F6X
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![BU of 4f6x by Molmil](/molmil-images/mine/4f6x) | Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1112 | Descriptor: | 1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid, D(-)-TARTARIC ACID, Dehydrosqualene synthase, ... | Authors: | Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E. | Deposit date: | 2012-05-15 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis. ACS Med Chem Lett, 3, 2012
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3S2Y
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![BU of 3s2y by Molmil](/molmil-images/mine/3s2y) | Crystal structure of a chromate/uranium reductase from Gluconacetobacter hansenii | Descriptor: | CHLORIDE ION, Chromate reductase, FLAVIN MONONUCLEOTIDE, ... | Authors: | Jin, H, Zhang, Y, Buchko, G.W, Li, P, Squier, T.C, Robinson, H, Varnum, S.M, Long, P.E. | Deposit date: | 2011-05-17 | Release date: | 2012-05-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.244 Å) | Cite: | Structure Determination and Functional Analysis of a Chromate Reductase from Gluconacetobacter hansenii. Plos One, 7, 2012
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3NR9
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![BU of 3nr9 by Molmil](/molmil-images/mine/3nr9) | Structure of human CDC2-like kinase 2 (CLK2) | Descriptor: | (5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Dual specificity protein kinase CLK2 | Authors: | Chaikuad, A, Savitsky, P, Krojer, T, Muniz, J.R.C, Filippakopoulos, P, Rellos, P, Keates, T, Fedorov, O, Pike, A.C.W, Eswaran, J, Berridge, G, Phillips, C, Zhang, Y, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-06-30 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure of human CDC2-like kinase 2 (CLK2) To be Published
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4GA3
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![BU of 4ga3 by Molmil](/molmil-images/mine/4ga3) | Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1260 | Descriptor: | 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | Authors: | Liu, Y.-L, Zhang, Y, Oldfield, E. | Deposit date: | 2012-07-24 | Release date: | 2013-05-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Chemo-Immunotherapeutic Anti-Malarials Targeting Isoprenoid Biosynthesis. ACS MED.CHEM.LETT., 4, 2013
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6KBH
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![BU of 6kbh by Molmil](/molmil-images/mine/6kbh) | Crystal structure of an intact type IV self-sufficient cytochrome P450 monooxygenase | Descriptor: | Cytochrome P450 monooxygenase, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gong, R, Wu, L.J, Zhang, Y, Liu, Z, Dou, S, Zhang, R.G, Xu, J.H, Tang, C, Zhou, J.H. | Deposit date: | 2019-06-25 | Release date: | 2020-07-01 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of an intact type IV self-sufficient cytochrome P450 monooxygenase To Be Published
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6KZJ
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![BU of 6kzj by Molmil](/molmil-images/mine/6kzj) | Crystal structure of Ankyrin B/NdeL1 complex | Descriptor: | Ankyrin-2, Nuclear distribution protein nudE-like 1 | Authors: | Ye, J, Li, J, Ye, F, Zhang, M, Zhang, Y, Wang, C. | Deposit date: | 2019-09-24 | Release date: | 2020-01-15 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanistic insights into the interactions of dynein regulator Ndel1 with neuronal ankyrins and implications in polarity maintenance. Proc.Natl.Acad.Sci.USA, 117, 2020
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6M18
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![BU of 6m18 by Molmil](/molmil-images/mine/6m18) | ACE2-B0AT1 complex | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Zhou, Q. | Deposit date: | 2020-02-25 | Release date: | 2020-03-11 | Last modified: | 2020-11-04 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2. Science, 367, 2020
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6M1D
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![BU of 6m1d by Molmil](/molmil-images/mine/6m1d) | ACE2-B0AT1 complex, open conformation | Descriptor: | Angiotensin-converting enzyme 2, Sodium-dependent neutral amino acid transporter B(0)AT1 | Authors: | Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Zhou, Q. | Deposit date: | 2020-02-25 | Release date: | 2020-03-11 | Last modified: | 2020-04-08 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2. Science, 367, 2020
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2XCN
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![BU of 2xcn by Molmil](/molmil-images/mine/2xcn) | Crystal structure of HCV NS3 protease with a boronate inhibitor | Descriptor: | MAGNESIUM ION, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, NS3 PROTEASE, ... | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | Deposit date: | 2010-04-23 | Release date: | 2010-06-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease. Bioorg.Med.Chem.Lett., 20, 2010
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2XCF
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![BU of 2xcf by Molmil](/molmil-images/mine/2xcf) | Crystal structure of HCV NS3 protease with a boronate inhibitor | Descriptor: | CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, MAGNESIUM ION, NS3 PROTEASE, ... | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | Deposit date: | 2010-04-22 | Release date: | 2010-06-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease. Bioorg.Med.Chem.Lett., 20, 2010
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4EAI
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![BU of 4eai by Molmil](/molmil-images/mine/4eai) | Co-crystal structure of an AMPK core with AMP | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Chen, L, Wang, J, Zhang, Y.-Y, Yan, S.F, Neumann, D, Schlattner, U, Wang, Z.-X, Wu, J.-W. | Deposit date: | 2012-03-22 | Release date: | 2012-06-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.285 Å) | Cite: | AMP-activated protein kinase undergoes nucleotide-dependent conformational changes Nat.Struct.Mol.Biol., 19, 2012
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4EAK
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![BU of 4eak by Molmil](/molmil-images/mine/4eak) | Co-crystal structure of an AMPK core with ATP | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Chen, L, Wang, J, Zhang, Y.-Y, Yan, S.F, Neumann, D, Schlattner, U, Wang, Z.-X, Wu, J.-W. | Deposit date: | 2012-03-22 | Release date: | 2012-06-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | AMP-activated protein kinase undergoes nucleotide-dependent conformational changes Nat.Struct.Mol.Biol., 19, 2012
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4IFC
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![BU of 4ifc by Molmil](/molmil-images/mine/4ifc) | Crystal Structure of ADP-bound Human PRPF4B kinase domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | Authors: | Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L. | Deposit date: | 2012-12-14 | Release date: | 2013-08-28 | Last modified: | 2013-11-06 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches. J.Biol.Chem., 288, 2013
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4IJP
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![BU of 4ijp by Molmil](/molmil-images/mine/4ijp) | Crystal Structure of Human PRPF4B kinase domain in complex with 4-{5-[(2-Chloro-pyridin-4-ylmethyl)-carbamoyl]-thiophen-2-yl}-benzo[b]thiophene-2-carboxylic acid amine | Descriptor: | 4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | Authors: | Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L. | Deposit date: | 2012-12-22 | Release date: | 2013-08-28 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches. J.Biol.Chem., 288, 2013
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4EAJ
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![BU of 4eaj by Molmil](/molmil-images/mine/4eaj) | Co-crystal of AMPK core with AMP soaked with ATP | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Chen, L, Wang, J, Zhang, Y.-Y, Yan, S.F, Neumann, D, Schlattner, U, Wang, Z.-X, Wu, J.-W. | Deposit date: | 2012-03-22 | Release date: | 2012-06-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.609 Å) | Cite: | AMP-activated protein kinase undergoes nucleotide-dependent conformational changes Nat.Struct.Mol.Biol., 19, 2012
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6JV0
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![BU of 6jv0 by Molmil](/molmil-images/mine/6jv0) | Crystal Structure of N-terminal domain of ArgZ, bound to Product, an arginine dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria | Descriptor: | 1,2-ETHANEDIOL, L-ornithine, Sll1336 protein | Authors: | Zhuang, N, Li, L, Wu, X, Zhang, Y. | Deposit date: | 2019-04-15 | Release date: | 2020-01-15 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism. J.Biol.Chem., 295, 2020
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4IIR
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![BU of 4iir by Molmil](/molmil-images/mine/4iir) | Crystal Structure of AMPPNP-bound Human PRPF4B kinase domain | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | Authors: | Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L. | Deposit date: | 2012-12-20 | Release date: | 2013-08-28 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches. J.Biol.Chem., 288, 2013
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6JUY
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![BU of 6juy by Molmil](/molmil-images/mine/6juy) | Crystal Structure of ArgZ, apo structure, an Arginine Dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria | Descriptor: | Sll1336 protein | Authors: | Zhuang, N, Li, L, Wu, X, Zhang, Y. | Deposit date: | 2019-04-15 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism. J.Biol.Chem., 295, 2020
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6JV1
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![BU of 6jv1 by Molmil](/molmil-images/mine/6jv1) | Crystal Structure of N-terminal domain of ArgZ, C264S mutant, bound to Substrate, an arginine dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria | Descriptor: | ARGININE, Sll1336 protein | Authors: | Zhuang, N, Li, L, Wu, X, Zhang, Y. | Deposit date: | 2019-04-15 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism. J.Biol.Chem., 295, 2020
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4F2L
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![BU of 4f2l by Molmil](/molmil-images/mine/4f2l) | Structure of a regulatory domain of AMPK | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, MAGNESIUM ION | Authors: | Xin, F.J, Zhang, Y.Y, Wang, J, Wang, Z.X, Wu, J.W. | Deposit date: | 2012-05-08 | Release date: | 2013-06-26 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Conserved regulatory elements in AMPK Nature, 498, 2013
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8KIH
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![BU of 8kih by Molmil](/molmil-images/mine/8kih) | PhmA, a type I diterpene synthase without NST/DTE motif | Descriptor: | (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate, MAGNESIUM ION, diterpene synthase, ... | Authors: | Zhang, B, Ge, H.M, Zhu, A, Zhang, Y. | Deposit date: | 2023-08-23 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biosynthesis of Platelet Activating Factor Antagonist Phomactins Revealing a New Class of Type I Diterpene Synthase To Be Published
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4GFU
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![BU of 4gfu by Molmil](/molmil-images/mine/4gfu) | PTPN18 in complex with HER2-pY1248 phosphor-peptides | Descriptor: | HER2-pY1248 phosphor-peptide, Tyrosine-protein phosphatase non-receptor type 18 | Authors: | Wang, H.M, Yang, F, Du, Y.J, Yang, D.X, Zhang, Y, Yu, X, Sun, J.P. | Deposit date: | 2012-08-04 | Release date: | 2013-08-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | PTPN18-HER2 peptides To be Published
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5ZZ3
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![BU of 5zz3 by Molmil](/molmil-images/mine/5zz3) | Crystal structure of intracellular B30.2 domain of BTN3A3 | Descriptor: | Butyrophilin, subfamily 3, member A3 isoform b variant | Authors: | Yang, Y.Y, Li, X, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2018-05-30 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
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