4RLM
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![BU of 4rlm by Molmil](/molmil-images/mine/4rlm) | Hen egg-white lysozyme solved from serial crystallography at a synchrotron source, data processed with CrystFEL | Descriptor: | Lysozyme C | Authors: | Botha, S, Nass, K, Barends, T, Kabsch, W, Latz, B, Dworkowski, F, Foucar, L, Panepucci, E, Wang, M, Shoeman, R, Schlichting, I, Doak, R.B. | Deposit date: | 2014-10-17 | Release date: | 2015-02-25 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Room-temperature serial crystallography at synchrotron X-ray sources using slowly flowing free-standing high-viscosity microstreams. Acta Crystallogr.,Sect.D, 71, 2015
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4ROJ
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![BU of 4roj by Molmil](/molmil-images/mine/4roj) | Crystal Structure of the VAV2 SH2 domain in complex with TXNIP phosphorylated peptide | Descriptor: | Guanine nucleotide exchange factor VAV2, Thioredoxin-interacting protein, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-10-28 | Release date: | 2014-12-10 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of the VAV2 SH2 domain in complex with TXNIP phosphorylated peptide TO BE PUBLISHED
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6NG0
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![BU of 6ng0 by Molmil](/molmil-images/mine/6ng0) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with sunitinib in the inactive state. | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 1, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide | Authors: | Johnson, E, McTigue, M, Cronin, C.N. | Deposit date: | 2018-12-21 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation. J.Biol.Chem., 294, 2019
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4RW2
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![BU of 4rw2 by Molmil](/molmil-images/mine/4rw2) | Hen egg-white lysozyme structure from a spent-beam experiment at LCLS: refocused beam | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Boutet, S, Foucar, L, Barends, T, Doak, R.B, Koglin, J.E, Messerschmidt, M, Nass, K, Schlichting, I, Shoeman, R, Williams, G.J. | Deposit date: | 2014-12-01 | Release date: | 2015-05-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization and use of the spent beam for serial operation of LCLS. J.SYNCHROTRON RADIAT., 22, 2015
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6NLO
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![BU of 6nlo by Molmil](/molmil-images/mine/6nlo) | Human ABCC6 NBD1 H812A in Apo state | Descriptor: | Multidrug resistance-associated protein 6, SULFATE ION | Authors: | Zheng, A, Thibodeau, P.H. | Deposit date: | 2019-01-08 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.85021973 Å) | Cite: | Structures of human ABCC6 NBD1 and NBD2 To be published
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6O17
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![BU of 6o17 by Molmil](/molmil-images/mine/6o17) | Recombinant Human Insulin | Descriptor: | Insulin chain A, Insulin chain B | Authors: | Reyes-Grajeda, J.P. | Deposit date: | 2019-02-18 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Human WT insulin To Be Published
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4RVC
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4RVK
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![BU of 4rvk by Molmil](/molmil-images/mine/4rvk) | CHK1 kinase domain with diazacarbazole compound 8: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide | Descriptor: | N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide, Serine/threonine-protein kinase Chk1 | Authors: | Wiesmann, C, Wu, P. | Deposit date: | 2014-11-26 | Release date: | 2015-06-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1. J.Med.Chem., 58, 2015
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4RVP
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![BU of 4rvp by Molmil](/molmil-images/mine/4rvp) | Crystal structure of superoxide dismutase from sedum alfredii | Descriptor: | ZINC ION, superoxide dismutase | Authors: | Qiu, R, Li, C, Zhai, J, Tang, L, Zhang, H, Yuan, M, Hu, X. | Deposit date: | 2014-11-27 | Release date: | 2015-12-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The positive effects of Cd and Cd-Zn relationship in the
Zn-related physiological processes involved in growth in the Zn/Cd hyperaccumulator Sedum alfredii To be Published
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6O2H
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![BU of 6o2h by Molmil](/molmil-images/mine/6o2h) | |
6NN9
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![BU of 6nn9 by Molmil](/molmil-images/mine/6nn9) | REFINED ATOMIC STRUCTURES OF N9 SUBTYPE INFLUENZA VIRUS NEURAMINIDASE AND ESCAPE MUTANTS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE N9, ... | Authors: | Tulip, W.R, Varghese, J.N, Baker, A.T, Vandonkelaar, A, Laver, W.G, Webster, R.G, Colman, P.M. | Deposit date: | 1991-03-28 | Release date: | 1992-07-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Refined atomic structures of N9 subtype influenza virus neuraminidase and escape mutants. J.Mol.Biol., 221, 1991
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6O36
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![BU of 6o36 by Molmil](/molmil-images/mine/6o36) | |
4S2Z
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![BU of 4s2z by Molmil](/molmil-images/mine/4s2z) | |
6NBC
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![BU of 6nbc by Molmil](/molmil-images/mine/6nbc) | |
4TLQ
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![BU of 4tlq by Molmil](/molmil-images/mine/4tlq) | |
4TN8
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![BU of 4tn8 by Molmil](/molmil-images/mine/4tn8) | Crystal structure of Thermus Thermophilus thioredoxin solved by sulfur SAD using Swiss Light Source data | Descriptor: | CHLORIDE ION, Thioredoxin | Authors: | Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2014-06-03 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fast native-SAD phasing for routine macromolecular structure determination. Nat.Methods, 12, 2015
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4TMZ
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6NV9
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![BU of 6nv9 by Molmil](/molmil-images/mine/6nv9) | BACE1 in complex with a macrocyclic inhibitor | Descriptor: | (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, Beta-secretase 1, SULFATE ION | Authors: | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | Deposit date: | 2019-02-04 | Release date: | 2019-10-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors. Biochemistry, 58, 2019
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6NW3
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![BU of 6nw3 by Molmil](/molmil-images/mine/6nw3) | BACE1 in complex with a macrocyclic inhibitor | Descriptor: | Beta-secretase 1, N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, SULFATE ION | Authors: | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | Deposit date: | 2019-02-05 | Release date: | 2019-10-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.352 Å) | Cite: | Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors. Biochemistry, 58, 2019
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4TRW
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![BU of 4trw by Molmil](/molmil-images/mine/4trw) | Structure of BACE1 complex with a syn-HEA-type inhibitor | Descriptor: | Beta-secretase 1, L-alpha-glutamyl-L-isoleucyl-N-[(2R,3S)-1-{[(1S)-1-carboxybutyl]amino}-2-hydroxy-5-methylhexan-3-yl]-3-thiophen-2-yl-L-alaninamide | Authors: | Akaji, K, Teruya, K, Akiyama, T, Sanjho, A, Yamashita, E, Nakagawa, A. | Deposit date: | 2014-06-18 | Release date: | 2015-07-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Evaluation of transition-state mimics in a superior BACE1 cleavage sequence as peptide-mimetic BACE1 inhibitors Bioorg.Med.Chem., 23, 2015
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4TPY
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![BU of 4tpy by Molmil](/molmil-images/mine/4tpy) | High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, ... | Authors: | Teplitsky, E, Joshi, K, Mullen, J.D, Soares, A.S. | Deposit date: | 2014-06-10 | Release date: | 2014-10-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density. J.Struct.Biol., 191, 2015
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6NTY
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![BU of 6nty by Molmil](/molmil-images/mine/6nty) | 2.1 A resolution structure of the Musashi-2 (Msi2) RNA recognition motif 1 (RRM1) domain | Descriptor: | PHOSPHATE ION, RNA-binding protein Musashi homolog 2 | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Lan, L, Xiaoqing, W, Cooper, A, Gao, F.P, Xu, L. | Deposit date: | 2019-01-30 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal and solution structures of human oncoprotein Musashi-2 N-terminal RNA recognition motif 1. Proteins, 88, 2020
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4RLL
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![BU of 4rll by Molmil](/molmil-images/mine/4rll) | Crystal structure of human CK2alpha in complex with the ATP-competitive inhibitor 4-[(E)-(fluoren-9-ylidenehydrazinylidene)-methyl] benzoate | Descriptor: | 4-[(E)-(9H-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid, Casein kinase II subunit alpha, GLYCEROL | Authors: | Guerra, B, Rasmussen, T.D.L, Schnitzler, A, Jensen, H.H, Boldyreff, B.S, Miyata, Y, Marcussen, N, Niefind, K, Issinger, O.G. | Deposit date: | 2014-10-17 | Release date: | 2014-12-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Protein kinase CK2 inhibition is associated with the destabilization of HIF-1 alpha in human cancer cells. Cancer Lett, 356, 2015
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6O06
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![BU of 6o06 by Molmil](/molmil-images/mine/6o06) | Extracellular factors prime enterovirus particles for uncoating | Descriptor: | VP1, VP2, VP3 | Authors: | Domanska, A, Ruokolainen, V, Pelliccia, M, Laajala, M, Butcher, S.J, Marjomaki, V.S. | Deposit date: | 2019-02-15 | Release date: | 2019-06-12 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Extracellular Albumin and Endosomal Ions Prime Enterovirus Particles for Uncoating That Can Be Prevented by Fatty Acid Saturation. J.Virol., 93, 2019
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6NO9
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![BU of 6no9 by Molmil](/molmil-images/mine/6no9) | PIM1 in complex with Cpd16 (5-amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide) | Descriptor: | 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide, GLYCEROL, PHOSPHATE ION, ... | Authors: | Murray, J.M, Noland, C. | Deposit date: | 2019-01-15 | Release date: | 2019-02-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.712 Å) | Cite: | Optimization of Pan-Pim Kinase Activity and Oral Bioavailability Leading to Diaminopyrazole (GDC-0339) for the Treatment of Multiple Myeloma. J. Med. Chem., 62, 2019
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