1M59
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![BU of 1m59 by Molmil](/molmil-images/mine/1m59) | Crystal Structure of P40V Mutant of Trypsin-solubilized Fragment of Cytochrome b5 | Descriptor: | Cytochrome b5, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wang, Z.-Q, Wu, J, Wang, Y.-H, Qian, W, Xie, Y, Xia, Z.-X, Huang, Z.-X. | Deposit date: | 2002-07-09 | Release date: | 2003-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Proline40 is essential to maintaining cytochrome b5 stability and its electron transfer with cytochrome c Chin.J.Chem., 20, 2002
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6LK0
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![BU of 6lk0 by Molmil](/molmil-images/mine/6lk0) | Crystal structure of human wild type TRIP13 | Descriptor: | Pachytene checkpoint protein 2 homolog | Authors: | Wang, Y, Huang, J, Li, B, Xue, H, Tricot, G, Hu, L, Xu, Z, Sun, X, Chang, S, Gao, L, Tao, Y, Xu, H, Xie, Y, Xiao, W, Yu, D, Kong, Y, Chen, G, Sun, X, Lian, F, Zhang, N, Wu, X, Mao, Z, Zhan, F, Zhu, W, Shi, J. | Deposit date: | 2019-12-17 | Release date: | 2020-01-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A Small-Molecule Inhibitor Targeting TRIP13 Suppresses Multiple Myeloma Progression. Cancer Res., 80, 2020
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4DCN
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![BU of 4dcn by Molmil](/molmil-images/mine/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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6L12
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![BU of 6l12 by Molmil](/molmil-images/mine/6l12) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | Deposit date: | 2019-09-27 | Release date: | 2020-05-27 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6L16
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![BU of 6l16 by Molmil](/molmil-images/mine/6l16) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | Deposit date: | 2019-09-27 | Release date: | 2020-05-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6L11
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![BU of 6l11 by Molmil](/molmil-images/mine/6l11) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | Deposit date: | 2019-09-27 | Release date: | 2020-05-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6L17
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![BU of 6l17 by Molmil](/molmil-images/mine/6l17) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | Deposit date: | 2019-09-27 | Release date: | 2020-09-02 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6L14
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![BU of 6l14 by Molmil](/molmil-images/mine/6l14) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | Deposit date: | 2019-09-27 | Release date: | 2020-05-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6L13
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![BU of 6l13 by Molmil](/molmil-images/mine/6l13) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | Deposit date: | 2019-09-27 | Release date: | 2020-05-27 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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1ES1
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![BU of 1es1 by Molmil](/molmil-images/mine/1es1) | CRYSTAL STRUCTURE OF VAL61HIS MUTANT OF TRYPSIN-SOLUBILIZED FRAGMENT OF CYTOCHROME B5 | Descriptor: | CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wu, J, Gan, J.-H, Xia, Z.-X, Wang, Y.-H, Wang, W.-H, Xue, L.-L, Xie, Y, Huang, Z.-X. | Deposit date: | 2000-04-07 | Release date: | 2000-08-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of recombinant trypsin-solubilized fragment of cytochrome b(5) and the structural comparison with Val61His mutant. Proteins, 40, 2000
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1EHB
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![BU of 1ehb by Molmil](/molmil-images/mine/1ehb) | CRYSTAL STRUCTURE OF RECOMBINANT TRYPSIN-SOLUBILIZED FRAGMENT OF CYTOCHROME B5 | Descriptor: | PROTEIN (CYTOCHROME B5), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wu, J, Gan, J.-H, Xia, Z.-X, Wang, Y.-H, Wang, W.-H, Xue, L.-L, Xie, Y, Huang, Z.-X. | Deposit date: | 2000-02-20 | Release date: | 2000-08-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of recombinant trypsin-solubilized fragment of cytochrome b(5) and the structural comparison with Val61His mutant. Proteins, 40, 2000
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3VHX
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![BU of 3vhx by Molmil](/molmil-images/mine/3vhx) | The crystal structure of Arf6-MKLP1 (Mitotic kinesin-like protein 1) complex | Descriptor: | ADP-ribosylation factor 6, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Makyio, H, Takei, T, Ohgi, H, Takahashi, S, Takatsu, H, Ueda, T, Kanaho, Y, Xie, Y, Shin, H.W, Kamikubo, H, Kataoka, M, Kawasaki, M, Kato, R, Wakatsuki, S, Nakayama, K. | Deposit date: | 2011-09-12 | Release date: | 2012-05-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structural basis for Arf6-MKLP1 complex formation on the Flemming body responsible for cytokinesis Embo J., 31, 2012
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2DV6
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![BU of 2dv6 by Molmil](/molmil-images/mine/2dv6) | Crystal structure of nitrite reductase from Hyphomicrobium denitrificans | Descriptor: | COPPER (II) ION, Nitrite reductase, POTASSIUM ION | Authors: | Nojiri, M, Xie, Y, Yamamoto, T, Inoue, T, Suzuki, S, Kai, Y. | Deposit date: | 2006-07-28 | Release date: | 2007-02-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and function of a hexameric copper-containing nitrite reductase. Proc.Natl.Acad.Sci.USA, 104, 2007
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2J14
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![BU of 2j14 by Molmil](/molmil-images/mine/2j14) | 3,4,5-Trisubstituted Isoxazoles as Novel PPARdelta Agonists: Part2 | Descriptor: | (3-{4-[2-(2,4-DICHLORO-PHENOXY)-ETHYLCARBAMOYL]-5-PHENYL-ISOXAZOL-3-YL}-PHENYL)-ACETIC ACID, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA | Authors: | Epple, R, Azimioara, M, Russo, R, Xie, Y, Wang, X, Cow, C, Wityak, J, Karanewsky, D, Bursulaya, B, Kreusch, A, Tuntland, T, Gerken, A, Iskandar, M, Saez, E, Seidel, H.M, Tian, S.S. | Deposit date: | 2006-08-08 | Release date: | 2006-09-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 3,4,5-Trisubstituted Isoxazoles as Novel Ppardelta Agonists. Part 2 Bioorg.Med.Chem.Lett., 16, 2006
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2Z0I
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![BU of 2z0i by Molmil](/molmil-images/mine/2z0i) | Crystal Structure of 5-aminolevulinic acid dehydratase (ALAD) from Mus musculus | Descriptor: | Delta-aminolevulinic acid dehydratase | Authors: | Wang, H, Xie, Y, Kawazoe, M, Kishishita, S, Murayama, K, Takemoto, C, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-05-07 | Release date: | 2008-05-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal Structure of 5-aminolevulinic acid dehydratase (ALAD) from Mus musculus To be Published
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5GXQ
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![BU of 5gxq by Molmil](/molmil-images/mine/5gxq) | The crystal structure of the nucleosome containing H3.6 | Descriptor: | DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Taguchi, H, Xie, Y, Horikoshi, N, Kurumizaka, H. | Deposit date: | 2016-09-19 | Release date: | 2017-04-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal Structure and Characterization of Novel Human Histone H3 Variants, H3.6, H3.7, and H3.8 Biochemistry, 56, 2017
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4A3N
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![BU of 4a3n by Molmil](/molmil-images/mine/4a3n) | Crystal Structure of HMG-BOX of Human SOX17 | Descriptor: | TRANSCRIPTION FACTOR SOX-17, ZINC ION | Authors: | Gao, N, Gao, H, Qian, H, Si, S, Xie, Y. | Deposit date: | 2011-10-01 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of Human Transcription Factor Sry-Related Box 17 Binding to DNA. Protein Pept.Lett., 20, 2013
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4IAA
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![BU of 4iaa by Molmil](/molmil-images/mine/4iaa) | Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Wan, X, Li, W, Xie, Y, Huang, N. | Deposit date: | 2012-12-06 | Release date: | 2013-12-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine To be Published
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4I41
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![BU of 4i41 by Molmil](/molmil-images/mine/4i41) | Crystal Structure of human Ser/Thr kinase Pim1 in complex with mitoxantrone | Descriptor: | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Wan, X, Xie, Y, Huang, N. | Deposit date: | 2012-11-27 | Release date: | 2013-12-11 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A new target for an old drug: identifying mitoxantrone as a nanomolar inhibitor of PIM1 kinase via kinome-wide selectivity modeling. J. Med. Chem., 56, 2013
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6KZI
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![BU of 6kzi by Molmil](/molmil-images/mine/6kzi) | Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine derivatives | Descriptor: | 4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Wan, X, Li, W, Xie, Y, Huang, N. | Deposit date: | 2019-09-24 | Release date: | 2020-03-04 | Last modified: | 2021-03-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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4RTH
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![BU of 4rth by Molmil](/molmil-images/mine/4rth) | The crystal structure of PsbP from Zea mays | Descriptor: | Membrane-extrinsic protein of photosystem II PsbP | Authors: | Cao, P, Xie, Y, Li, M, Pan, X.W, Zhang, H.M, Zhao, X.L, Su, X.D, Cheng, T, Chang, W. | Deposit date: | 2014-11-15 | Release date: | 2015-03-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure analysis of extrinsic PsbP protein of photosystem II reveals a manganese-induced conformational change. Mol Plant, 8, 2015
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4RTI
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![BU of 4rti by Molmil](/molmil-images/mine/4rti) | The crystal structure of PsbP from Spinacia oleracea | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Oxygen-evolving enhancer protein 2, ... | Authors: | Cao, P, Xie, Y, Li, M, Pan, X.W, Zhang, H.M, Zhao, X.L, Su, X.D, Cheng, T, Chang, W. | Deposit date: | 2014-11-15 | Release date: | 2015-03-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure analysis of extrinsic PsbP protein of photosystem II reveals a manganese-induced conformational change. Mol Plant, 8, 2015
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8H3E
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![BU of 8h3e by Molmil](/molmil-images/mine/8h3e) | Complex structure of a small molecule (SPC-14) bound SARS-CoV-2 spike protein, closed state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid, Spike glycoprotein,Fibritin | Authors: | Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N. | Deposit date: | 2022-10-08 | Release date: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein. Acs Cent.Sci., 9, 2023
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8H3D
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![BU of 8h3d by Molmil](/molmil-images/mine/8h3d) | Structure of apo SARS-CoV-2 spike protein with one RBD up | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | Authors: | Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N. | Deposit date: | 2022-10-08 | Release date: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein. Acs Cent.Sci., 9, 2023
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6AKR
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![BU of 6akr by Molmil](/molmil-images/mine/6akr) | Crystal structure of the PDE4D catalytic domain in complex with osthole | Descriptor: | 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4D | Authors: | Wang, S, Huo, Y.W, Xie, Y. | Deposit date: | 2018-09-03 | Release date: | 2020-02-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.326 Å) | Cite: | Airway relaxation mechanisms and structural basis of osthole for improving lung function in asthma. Sci.Signal., 13, 2020
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