3UWP
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![BU of 3uwp by Molmil](/molmil-images/mine/3uwp) | Crystal structure of Dot1l in complex with 5-iodotubercidin | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2011-12-02 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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1VEV
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![BU of 1vev by Molmil](/molmil-images/mine/1vev) | Crystal structure of peptide deformylase from Leptospira Interrogans (LiPDF) at pH6.5 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FORMIC ACID, Peptide deformylase, ... | Authors: | Zhou, Z, Song, X, Li, Y, Gong, W. | Deposit date: | 2004-04-06 | Release date: | 2005-08-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Novel conformational states of peptide deformylase from pathogenic bacterium Leptospira interrogans: implications for population shift J.Biol.Chem., 280, 2005
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1VEY
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![BU of 1vey by Molmil](/molmil-images/mine/1vey) | Crystal Structure of Peptide Deformylase from Leptospira Interrogans (LiPDF) at pH7.0 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Peptide deformylase, ZINC ION | Authors: | Zhou, Z, Song, X, Li, Y, Gong, W. | Deposit date: | 2004-04-06 | Release date: | 2005-08-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Novel conformational states of peptide deformylase from pathogenic bacterium Leptospira interrogans: implications for population shift J.Biol.Chem., 280, 2005
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4H5S
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![BU of 4h5s by Molmil](/molmil-images/mine/4h5s) | Complex structure of Necl-2 and CRTAM | Descriptor: | Cell adhesion molecule 1, Cytotoxic and regulatory T-cell molecule | Authors: | Zhang, S, Lu, G, Qi, J, Li, Y, Zhang, Z, Zhang, B, Yan, J, Gao, G.F. | Deposit date: | 2012-09-18 | Release date: | 2013-08-07 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Competition of cell adhesion and immune recognition: insights into the interaction between CRTAM and nectin-like 2. Structure, 21, 2013
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7VCU
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![BU of 7vcu by Molmil](/molmil-images/mine/7vcu) | Human p97 double hexamer conformer I with D1-ATPgammaS and D2-ADP bound | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Gao, H, Li, F, Shi, Z, Li, Y, Yu, H. | Deposit date: | 2021-09-04 | Release date: | 2022-03-02 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Cryo-EM structures of human p97 double hexamer capture potentiated ATPase-competent state. Cell Discov, 8, 2022
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7VCX
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![BU of 7vcx by Molmil](/molmil-images/mine/7vcx) | Human p97 single hexamer conformer II with ATPgammaS bound | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Gao, H, Li, F, Shi, Z, Li, Y, Yu, H. | Deposit date: | 2021-09-04 | Release date: | 2022-03-02 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Cryo-EM structures of human p97 double hexamer capture potentiated ATPase-competent state. Cell Discov, 8, 2022
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7VCS
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![BU of 7vcs by Molmil](/molmil-images/mine/7vcs) | Human p97 double hexamer conformer II with ATPgammaS bound | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Gao, H, Li, F, Shi, Z, Li, Y, Yu, H. | Deposit date: | 2021-09-03 | Release date: | 2022-03-02 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Cryo-EM structures of human p97 double hexamer capture potentiated ATPase-competent state. Cell Discov, 8, 2022
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7VCV
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![BU of 7vcv by Molmil](/molmil-images/mine/7vcv) | Human p97 single hexamer conformer I with ATPgammaS bound | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Gao, H, Li, F, Shi, Z, Li, Y, Yu, H. | Deposit date: | 2021-09-04 | Release date: | 2022-03-02 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Cryo-EM structures of human p97 double hexamer capture potentiated ATPase-competent state. Cell Discov, 8, 2022
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4FGY
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![BU of 4fgy by Molmil](/molmil-images/mine/4fgy) | Identification of a unique PPAR ligand with an unexpected binding mode and antibetic activity | Descriptor: | (4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | Authors: | Wang, R, Li, Y. | Deposit date: | 2012-06-05 | Release date: | 2013-03-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Identification of the antibiotic ionomycin as an unexpected peroxisome proliferator-activated receptor Gamma (PPAR-gamma) ligand with a unique binding mode and effective glucose-lowering activity in a mouse model of diabetes. Diabetologia, 56, 2013
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4HJJ
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![BU of 4hjj by Molmil](/molmil-images/mine/4hjj) | Structure Reveals Function of the Dual Variable Domain Immunoglobulin (DVD-Ig) Molecule | Descriptor: | Anti-IL12 Anti-IL18 DFab Heavy Chain, Anti-IL12 Anti-IL18 DFab Light Chain, CHLORIDE ION, ... | Authors: | Jakob, C.G, Edalji, R, Judge, R.A, DiGiammarino, E, Li, Y, Gu, J, Ghayur, T. | Deposit date: | 2012-10-12 | Release date: | 2013-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure reveals function of the dual variable domain immunoglobulin (DVD-Ig[TM]) molecule MAbs, 5, 2013
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4ER5
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![BU of 4er5 by Molmil](/molmil-images/mine/4er5) | Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777 | Descriptor: | 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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5XI3
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![BU of 5xi3 by Molmil](/molmil-images/mine/5xi3) | BRD4 bound with compound Bdi3 | Descriptor: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{R})-1-phenylethyl]amino]-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | Authors: | Xiong, B, Cao, D, Li, Y. | Deposit date: | 2017-04-25 | Release date: | 2018-05-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.674 Å) | Cite: | BRD4 bound with compound Bdi3 To Be Published
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4EQZ
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![BU of 4eqz by Molmil](/molmil-images/mine/4eqz) | Crystal structure of human DOT1L in complex with inhibitor FED2 | Descriptor: | 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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4ER0
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![BU of 4er0 by Molmil](/molmil-images/mine/4er0) | Crystal Structure of human DOT1L in complex with inhibitor FED1 | Descriptor: | 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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4ER7
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![BU of 4er7 by Molmil](/molmil-images/mine/4er7) | Crystal Structure of human DOT1L in complex with inhibitor SGC0947 | Descriptor: | 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, GLYCEROL, Histone-lysine N-methyltransferase, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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5XI2
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![BU of 5xi2 by Molmil](/molmil-images/mine/5xi2) | BRD4 bound with compound Bdi2 | Descriptor: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | Authors: | Xiong, B, Cao, D, Li, Y. | Deposit date: | 2017-04-25 | Release date: | 2018-05-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.909 Å) | Cite: | BRD4 bound with compound Bdi2 To Be Published
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4J4Q
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![BU of 4j4q by Molmil](/molmil-images/mine/4j4q) | Crystal structure of active conformation of GPCR opsin stabilized by octylglucoside | Descriptor: | ACETATE ION, Guanine nucleotide-binding protein G(t) subunit alpha-1, PALMITIC ACID, ... | Authors: | Park, J.H, Morizumi, T, Li, Y, Hong, J.E, Pai, E.F, Hofmann, K.P, Choe, H.W, Ernst, O.P. | Deposit date: | 2013-02-07 | Release date: | 2013-10-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Opsin, a structural model for olfactory receptors? Angew.Chem.Int.Ed.Engl., 52, 2013
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7F52
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![BU of 7f52 by Molmil](/molmil-images/mine/7f52) | |
4K12
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![BU of 4k12 by Molmil](/molmil-images/mine/4k12) | Structural Basis for Host Specificity of Factor H Binding by Streptococcus pneumoniae | Descriptor: | Choline binding protein A, Complement factor H | Authors: | Liu, A, Achila, D, Banerjee, R, Martinez-Hackert, E, Li, Y, Yan, H. | Deposit date: | 2013-04-04 | Release date: | 2014-04-09 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.079 Å) | Cite: | Structural determinants of host specificity of complement Factor H recruitment by Streptococcus pneumoniae. Biochem.J., 465, 2015
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8OI3
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![BU of 8oi3 by Molmil](/molmil-images/mine/8oi3) | Structure of NopD with AtSUMO2 | Descriptor: | Small ubiquitin-related modifier 2, Type III effector, prop-2-en-1-amine | Authors: | Reverter, D, Li, Y. | Deposit date: | 2023-03-22 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of NopD with AtSUMO2 To Be Published
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8U3Z
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![BU of 8u3z by Molmil](/molmil-images/mine/8u3z) | Model of TTLL6 bound to microtubule from composite map | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Mahalingan, K.K, Grotjahn, D, Li, Y, Lander, G.C, Zehr, E.A, Roll-Mecak, A. | Deposit date: | 2023-09-08 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis for alpha-tubulin-specific and modification state-dependent glutamylation. Nat.Chem.Biol., 2024
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4KY1
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![BU of 4ky1 by Molmil](/molmil-images/mine/4ky1) | humanized HP1/2 Fab | Descriptor: | IMMUNOGLOBULIN IGG1 FAB, HEAVY CHAIN, LIGHT CHAIN | Authors: | Arndt, J.W, Hanf, K.J.M, Lugovskoy, A, Chen, L.L, Jarpe, M, Boriack-Sjodin, A, Li, Y, van Vlijmen, H, Pepinsky, B, Taylor, F, Silvian, L, Taveras, A. | Deposit date: | 2013-05-28 | Release date: | 2013-07-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Antibody humanization by redesign of complementarity-determining region residues proximate to the acceptor framework. METHODS (SAN DIEGO), 65, 2014
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4JXM
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![BU of 4jxm by Molmil](/molmil-images/mine/4jxm) | Crystal structure of RRP9 WD40 repeats | Descriptor: | U3 small nucleolar RNA-interacting protein 2, UNKNOWN ATOM OR ION | Authors: | Wu, X, Tempel, W, Xu, C, El Bakkouri, M, He, H, Seitova, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2013-03-28 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal structure of RRP9 WD40 repeats To be Published
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5Z6P
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![BU of 5z6p by Molmil](/molmil-images/mine/5z6p) | The crystal structure of an agarase, AgWH50C | Descriptor: | B-agarase | Authors: | Mao, X, Zhou, J, Zhang, P, Zhang, L, Zhang, J, Li, Y. | Deposit date: | 2018-01-24 | Release date: | 2019-01-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.061 Å) | Cite: | Structure-based design of agarase AgWH50C from Agarivorans gilvus WH0801 to enhance thermostability. Appl. Microbiol. Biotechnol., 103, 2019
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6A3A
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![BU of 6a3a by Molmil](/molmil-images/mine/6a3a) | MVM NES mutant Nm2 in complex with CRM1-Ran-RanBP1 | Descriptor: | 1,2-ETHANEDIOL, Exportin-1, GLYCEROL, ... | Authors: | Sun, Q, Li, Y. | Deposit date: | 2018-06-15 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cancer Therapy with Nanoparticle-Medicated Intracellular Expression of Peptide CRM1-Inhibitor. Int J Nanomedicine, 16, 2021
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