8QVU
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![BU of 8qvu by Molmil](/molmil-images/mine/8qvu) | Crystal Structure of ligand ACBI3 in complex with KRAS G12D C118S GDP and pVHL:ElonginC:ElonginB complex | Descriptor: | (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Wijaya, A.J, Zollman, D, Farnaby, W, Ciulli, A. | Deposit date: | 2023-10-18 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Targeting cancer with small molecule pan-KRAS degraders Biorxiv, 2023
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8QYQ
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![BU of 8qyq by Molmil](/molmil-images/mine/8qyq) | Beta-cardiac myosin S1 fragment in the pre-powerstroke state complexed to Mavacamten | Descriptor: | 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | Deposit date: | 2023-10-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction. Biorxiv, 2023
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8QYP
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![BU of 8qyp by Molmil](/molmil-images/mine/8qyp) | Beta-cardiac myosin motor domain in the pre-powerstroke state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-7, ... | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | Deposit date: | 2023-10-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.759 Å) | Cite: | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction. Biorxiv, 2023
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8QYU
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![BU of 8qyu by Molmil](/molmil-images/mine/8qyu) | Beta-cardiac myosin S1 fragment in the pre-powerstroke state complexed to Omecamtiv mecarbil | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | Deposit date: | 2023-10-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction. Biorxiv, 2023
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8QYR
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![BU of 8qyr by Molmil](/molmil-images/mine/8qyr) | Beta-cardiac myosin motor domain in the pre-powerstroke state complexed to Mavacamten | Descriptor: | 1,2-ETHANEDIOL, 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | Deposit date: | 2023-10-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction. Biorxiv, 2023
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8SDW
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![BU of 8sdw by Molmil](/molmil-images/mine/8sdw) | Crystal structure of the non-myristoylated mutant [L8K]Arf1 in complex with a GDP analogue | Descriptor: | ADP-ribosylation factor 1, GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Rosenberg Jr, E.M, Randazzo, P.A, Esser, L, Xia, D. | Deposit date: | 2023-04-07 | Release date: | 2023-06-28 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Point mutations in Arf1 reveal cooperative effects of the N-terminal extension and myristate for GTPase-activating protein catalytic activity. Plos One, 19, 2024
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1BK2
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![BU of 1bk2 by Molmil](/molmil-images/mine/1bk2) | |
1YBO
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![BU of 1ybo by Molmil](/molmil-images/mine/1ybo) | Crystal structure of the PDZ tandem of human syntenin with syndecan peptide | Descriptor: | Syndecan-4, Syntenin 1 | Authors: | Grembecka, J, Cooper, D.R, Cierpicki, T, Kang, B.S, Devedjiev, Y, Derewenda, Z. | Deposit date: | 2004-12-21 | Release date: | 2006-01-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The binding of the PDZ tandem of syntenin to target proteins Biochemistry, 45, 2006
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1HIY
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![BU of 1hiy by Molmil](/molmil-images/mine/1hiy) | Binding of nucleotides to NDP kinase | Descriptor: | 3'-DEOXY 3'-AMINO ADENOSINE-5'-DIPHOSPHATE, NUCLEOSIDE DIPHOSPHATE KINASE | Authors: | Cervoni, L, Lascu, I, Xu, Y, Gonin, P, Morr, M, Merouani, M, Janin, J, Giartoso, A. | Deposit date: | 2001-01-05 | Release date: | 2001-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Binding of Nucleotides to Nucleoside Diphosphate Kinase: A Calorimetric Study. Biochemistry, 40, 2001
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6K08
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![BU of 6k08 by Molmil](/molmil-images/mine/6k08) | Crystal structure of REV7(R124A/A135D) in complex with a Shieldin3 fragment | Descriptor: | Mitotic spindle assembly checkpoint protein MAD2B, SULFATE ION, Shieldin complex subunit 3 | Authors: | Zhang, F, Dai, Y. | Deposit date: | 2019-05-05 | Release date: | 2019-12-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.312 Å) | Cite: | Structural basis for shieldin complex subunit 3-mediated recruitment of the checkpoint protein REV7 during DNA double-strand break repair. J.Biol.Chem., 295, 2020
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1LEO
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![BU of 1leo by Molmil](/molmil-images/mine/1leo) | P100S NUCLEOSIDE DIPHOSPHATE KINASE | Descriptor: | NUCLEOSIDE DIPHOSPHATE KINASE | Authors: | Janin, J, Xu, Y, Veron, M. | Deposit date: | 1996-05-22 | Release date: | 1996-11-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Nucleoside diphosphate kinase. Investigation of the intersubunit contacts by site-directed mutagenesis and crystallography. J.Biol.Chem., 271, 1996
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1LWX
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![BU of 1lwx by Molmil](/molmil-images/mine/1lwx) | AZT DIPHOSPHATE BINDING TO NUCLEOSIDE DIPHOSPHATE KINASE | Descriptor: | 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, NUCLEOSIDE DIPHOSPHATE KINASE | Authors: | Janin, J, Xu, Y. | Deposit date: | 1997-04-30 | Release date: | 1997-08-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray analysis of azido-thymidine diphosphate binding to nucleoside diphosphate kinase. Proc.Natl.Acad.Sci.USA, 94, 1997
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1MN9
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![BU of 1mn9 by Molmil](/molmil-images/mine/1mn9) | NDP kinase mutant (H122G) complex with RTP | Descriptor: | MAGNESIUM ION, NDP kinase, RIBAVIRIN TRIPHOSPHATE | Authors: | Gallois-montbrun, S, Chen, Y, Dutartre, H, Morera, S, Guerreiro, C, Mulard, L, Schneider, B, Janin, J, Canard, B, Veron, M, Deville-bonne, D. | Deposit date: | 2002-09-05 | Release date: | 2003-03-18 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Analysis of the Activation of Ribavirin Analogs by NDP Kinase: Comparison with Other Ribavirin Targets MOL.PHARMACOL., 63, 2003
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1MN7
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![BU of 1mn7 by Molmil](/molmil-images/mine/1mn7) | NDP kinase mutant (H122G;N119S;F64W) in complex with aBAZTTP | Descriptor: | 3'-AZIDO-3'-DEOXY-THYMIDINE-5'-ALPHA BORANO TRIPHOSPHATE, MAGNESIUM ION, NDP kinase | Authors: | gallois-montbrun, s, schneider, b, chen, y, giacomoni-fernandes, v, mulard, l, morera, s, janin, j, deville-bonne, d, veron, m. | Deposit date: | 2002-09-05 | Release date: | 2002-10-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Improving nucleoside diphosphate kinase for antiviral nucleotide analogs activation J.BIOL.CHEM., 277, 2002
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6M3Q
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![BU of 6m3q by Molmil](/molmil-images/mine/6m3q) | Crystal structure of AnkB/beta4-spectrin complex | Descriptor: | Ankyrin-2, Spectrin beta chain | Authors: | Li, J, Chen, K, Zhu, R, Zhang, M. | Deposit date: | 2020-03-04 | Release date: | 2020-05-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.436 Å) | Cite: | Structural Basis Underlying Strong Interactions between Ankyrins and Spectrins. J.Mol.Biol., 432, 2020
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6M3R
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![BU of 6m3r by Molmil](/molmil-images/mine/6m3r) | Crystal structure of AnkG/beta4-spectrin complex | Descriptor: | Ankyrin-3, Spectrin beta chain | Authors: | Li, J, Chen, K, Zhu, R, Zhang, M. | Deposit date: | 2020-03-04 | Release date: | 2020-05-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (4.313 Å) | Cite: | Structural Basis Underlying Strong Interactions between Ankyrins and Spectrins. J.Mol.Biol., 432, 2020
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6M3P
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![BU of 6m3p by Molmil](/molmil-images/mine/6m3p) | Crystal structure of AnkG/beta2-spectrin complex | Descriptor: | Ankyrin-3, Spectrin beta chain, non-erythrocytic 1 | Authors: | Li, J, Chen, K, Zhu, R, Zhang, M. | Deposit date: | 2020-03-04 | Release date: | 2020-05-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.312 Å) | Cite: | Structural Basis Underlying Strong Interactions between Ankyrins and Spectrins. J.Mol.Biol., 432, 2020
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2VZ5
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![BU of 2vz5 by Molmil](/molmil-images/mine/2vz5) | Structure of the PDZ domain of Tax1 (human T-cell leukemia virus type I) binding protein 3 | Descriptor: | CHLORIDE ION, IMIDAZOLE, TAX1-BINDING PROTEIN 3, ... | Authors: | Murray, J.W, Shafqat, N, Yue, W, Pilka, E, Johannsson, C, Salah, E, Cooper, C, Elkins, J.M, Pike, A.C, Roos, A, Filippakopoulos, P, von Delft, F, Wickstroem, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Oppermann, U. | Deposit date: | 2008-07-30 | Release date: | 2008-08-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.738 Å) | Cite: | The Structure of the Pdz Domain of Tax1BP To be Published
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4R1I
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![BU of 4r1i by Molmil](/molmil-images/mine/4r1i) | |
3BAT
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![BU of 3bat by Molmil](/molmil-images/mine/3bat) | |
1O3Y
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![BU of 1o3y by Molmil](/molmil-images/mine/1o3y) | Crystal structure of mouse ARF1 (delta17-Q71L), GTP form | Descriptor: | ADP-ribosylation factor 1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Shiba, T, Kawasaki, M, Takatsu, H, Nogi, T, Matsugaki, N, Igarashi, N, Suzuki, M, Kato, R, Nakayama, K, Wakatsuki, S. | Deposit date: | 2003-05-08 | Release date: | 2003-05-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Molecular mechanism of membrane recruitment of GGA by ARF in lysosomal protein transport Nat.Struct.Biol., 10, 2003
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3BIN
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![BU of 3bin by Molmil](/molmil-images/mine/3bin) | Structure of the DAL-1 and TSLC1 (372-383) complex | Descriptor: | Band 4.1-like protein 3, Cell adhesion molecule 1 | Authors: | Busam, R.D, Arrowsmith, C.H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Berglund, H, Persson, C, Hallberg, B.M. | Deposit date: | 2007-11-30 | Release date: | 2008-01-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of tumor suppressor in lung cancer 1 (TSLC1) binding to differentially expressed in adenocarcinoma of the lung (DAL-1/4.1B) J.Biol.Chem., 286, 2011
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3BH8
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![BU of 3bh8 by Molmil](/molmil-images/mine/3bh8) | Crystal Structure of RQA_M Phosphopeptide Bound to HUMAN Class I MHC HLA-A2 | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Mohammed, F, Cobbold, M, Zarling, A.L, Salim, M, Barrett-Wilt, G.A, Shabanowitz, J, Hunt, D.F, Engelhard, V.H, Willcox, B.E. | Deposit date: | 2007-11-28 | Release date: | 2008-10-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Phosphorylation-dependent interaction between antigenic peptides and MHC class I: a molecular basis for the presentation of transformed self Nat.Immunol., 9, 2008
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3C5K
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![BU of 3c5k by Molmil](/molmil-images/mine/3c5k) | Crystal structure of human HDAC6 zinc finger domain | Descriptor: | Histone deacetylase 6, ZINC ION | Authors: | Dong, A, Ravichandran, M, Schuetz, A, Loppnau, P, Li, Y, MacKenzie, F, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Dhe-Paganon, S, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-01-31 | Release date: | 2008-02-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal Structure of Human HDAC6 zinc finger domain. To be Published
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2ASE
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![BU of 2ase by Molmil](/molmil-images/mine/2ase) | |