4OIV
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![BU of 4oiv by Molmil](/molmil-images/mine/4oiv) | Structural basis for small molecule NDB as a selective antagonist of FXR | Descriptor: | Bile acid receptor, N-benzyl-N-(3-tert-butyl-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino)benzamide | Authors: | Xu, X, Chen, L, Hu, L, Shen, X. | Deposit date: | 2014-01-20 | Release date: | 2015-03-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis for Small Molecule NDB (N-Benzyl-N-(3-(tert-butyl)-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino) Benzamide) as a Selective Antagonist of Farnesoid X Receptor alpha (FXR alpha ) in Stabilizing the Homodimerization of the Receptor. J.Biol.Chem., 290, 2015
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4A28
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![BU of 4a28 by Molmil](/molmil-images/mine/4a28) | Eg5-2 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, MAGNESIUM ION | Authors: | Talapatra, S.K, Kozielski, F. | Deposit date: | 2011-09-22 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The Mitotic Kinesin Eg5 Overcomes Inhibition to the Phase I/II Clinical Candidate Sb743921 by an Allosteric Resistance Mechanism. J.Med.Chem., 56, 2013
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3US5
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![BU of 3us5 by Molmil](/molmil-images/mine/3us5) | |
4A0C
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![BU of 4a0c by Molmil](/molmil-images/mine/4a0c) | Structure of the CAND1-CUL4B-RBX1 complex | Descriptor: | CULLIN-4B, CULLIN-ASSOCIATED NEDD8-DISSOCIATED PROTEIN 1, E3 UBIQUITIN-PROTEIN LIGASE RBX1, ... | Authors: | Scrima, A, Fischer, E.S, Faty, M, Gut, H, Thoma, N.H. | Deposit date: | 2011-09-08 | Release date: | 2011-11-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation Cell(Cambridge,Mass.), 147, 2011
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4A5Y
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![BU of 4a5y by Molmil](/molmil-images/mine/4a5y) | |
4NDY
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![BU of 4ndy by Molmil](/molmil-images/mine/4ndy) | Human MHF1-MHF2 DNA complex | Descriptor: | Centromere protein S, Centromere protein X, DNA (26-MER) | Authors: | Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y. | Deposit date: | 2013-10-28 | Release date: | 2014-01-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (6.999 Å) | Cite: | The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes. Nat Commun, 5, 2014
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4NE1
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![BU of 4ne1 by Molmil](/molmil-images/mine/4ne1) | Human MHF1 MHF2 DNA complexes | Descriptor: | Centromere protein S, Centromere protein X, DNA (26-MER) | Authors: | Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y. | Deposit date: | 2013-10-28 | Release date: | 2014-01-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (6.499 Å) | Cite: | The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes. Nat Commun, 5, 2014
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4NE3
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![BU of 4ne3 by Molmil](/molmil-images/mine/4ne3) | Human MHF1-MHF2 complex | Descriptor: | Centromere protein S, Centromere protein X | Authors: | Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y. | Deposit date: | 2013-10-28 | Release date: | 2013-12-25 | Last modified: | 2014-02-12 | Method: | X-RAY DIFFRACTION (1.8007 Å) | Cite: | The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes. Nat Commun, 5, 2014
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4A51
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4A50
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![BU of 4a50 by Molmil](/molmil-images/mine/4a50) | Crystal structure of human kinesin Eg5 in complex with 2-Amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid | Descriptor: | (2R)-2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPROPANOIC ACID, (2S)-2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPROPANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Kaan, H.Y.K, Kozielski, F. | Deposit date: | 2011-10-24 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Triphenylbutanamines: Kinesin Spindle Protein Inhibitors with in Vivo Antitumor Activity. J.Med.Chem., 55, 2012
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4NE6
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![BU of 4ne6 by Molmil](/molmil-images/mine/4ne6) | Human MHF1-MHF2 complex | Descriptor: | Centromere protein S, Centromere protein X | Authors: | Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y. | Deposit date: | 2013-10-28 | Release date: | 2013-12-25 | Last modified: | 2014-02-12 | Method: | X-RAY DIFFRACTION (2.1001 Å) | Cite: | The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes. Nat Commun, 5, 2014
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4B7B
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![BU of 4b7b by Molmil](/molmil-images/mine/4b7b) | Eg5-3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, CALCIUM ION, ... | Authors: | Talapatra, S.K, Kozielski, F. | Deposit date: | 2012-08-17 | Release date: | 2013-07-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Mitotic Kinesin Eg5 Overcomes Inhibition to the Phase I/II Clinical Candidate Sb743921 by an Allosteric Resistance Mechanism. J.Med.Chem., 56, 2013
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4U0U
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![BU of 4u0u by Molmil](/molmil-images/mine/4u0u) | Wild type eukaryotic fic domain containing protein with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION, ... | Authors: | Cole, A.R, Bunney, T.D, Katan, M. | Deposit date: | 2014-07-14 | Release date: | 2014-12-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Crystal structure of the human, FIC-domain containing protein HYPE and implications for its functions. Structure, 22, 2014
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4NE5
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![BU of 4ne5 by Molmil](/molmil-images/mine/4ne5) | Human MHF1-MHF2 complex | Descriptor: | Centromere protein S, Centromere protein X | Authors: | Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y. | Deposit date: | 2013-10-28 | Release date: | 2013-12-25 | Last modified: | 2014-02-12 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes. Nat Commun, 5, 2014
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3GPD
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![BU of 3gpd by Molmil](/molmil-images/mine/3gpd) | |
5XJS
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![BU of 5xjs by Molmil](/molmil-images/mine/5xjs) | |
5XJT
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5XUQ
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![BU of 5xuq by Molmil](/molmil-images/mine/5xuq) | Crystal structure of VDR-LBD complexed with an antagonist, 2-methylidene-19,26,27-trinor-22-(S)-butyl-1-hydroxy-25-oxo-25-(1H-pyrrol-2-yl)- vitamin D3 | Descriptor: | (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(1~{H}-pyrrol-2-yl)octan-1-one, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | Authors: | Kato, A, Itoh, T, Yamamoto, K. | Deposit date: | 2017-06-24 | Release date: | 2018-06-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of Potent Vitamin D Receptor Antagonist To Be Published
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5XBL
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![BU of 5xbl by Molmil](/molmil-images/mine/5xbl) | Structure of nuclease in complex with associated protein | Descriptor: | Associated protein, CRISPR-associated endonuclease Cas9/Csn1, RNA (98-MER) | Authors: | Dong, D, Guo, M, Wang, S, Zhu, Y, Huang, Z. | Deposit date: | 2017-03-20 | Release date: | 2017-06-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.052 Å) | Cite: | Structural basis of CRISPR-SpyCas9 inhibition by an anti-CRISPR protein Nature, 546, 2017
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5XJR
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3I6M
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![BU of 3i6m by Molmil](/molmil-images/mine/3i6m) | 3D Structure of Torpedo californica acetylcholinesterase complexed with N-piperidinopropyl-galanthamine | Descriptor: | (4aS,6R,8aS)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lamba, D, Bartolucci, C. | Deposit date: | 2009-07-07 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives. J.Med.Chem., 53, 2010
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5XPO
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![BU of 5xpo by Molmil](/molmil-images/mine/5xpo) | Crystal structure of VDR-LBD complexed with 25-(hydroxyphenyl)-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3 | Descriptor: | (5~{R})-5-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexyl idene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-(4-hydroxyphenyl)hexan-1-one, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | Authors: | Kato, A, Itoh, T, Yamamoto, K. | Deposit date: | 2017-06-03 | Release date: | 2018-06-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action J. Med. Chem., 60, 2017
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7VVG
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![BU of 7vvg by Molmil](/molmil-images/mine/7vvg) | |
7VV8
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![BU of 7vv8 by Molmil](/molmil-images/mine/7vv8) | |
5XJQ
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![BU of 5xjq by Molmil](/molmil-images/mine/5xjq) | |