6IW5
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6IVZ
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![BU of 6ivz by Molmil](/molmil-images/mine/6ivz) | Crystal structure of 5A ScFv complexed with YFV-China sE in postfusion state | Descriptor: | Envelope protein, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A | Authors: | Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F. | Deposit date: | 2018-12-04 | Release date: | 2019-02-13 | Last modified: | 2019-02-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope. Cell Rep, 26, 2019
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5EQY
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![BU of 5eqy by Molmil](/molmil-images/mine/5eqy) | Crystal structure of choline kinase alpha-1 bound by 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile (compound 65) | Descriptor: | 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile, Choline kinase alpha | Authors: | Zhou, T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2015-11-13 | Release date: | 2016-01-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery. J.Med.Chem., 59, 2016
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7WLD
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![BU of 7wld by Molmil](/molmil-images/mine/7wld) | Cryo-EM structure of the human glycosylphosphatidylinositol transamidase complex at 2.53 Angstrom resolution | Descriptor: | (4S,7R)-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-3,5,8-trioxa-4lambda~5~-phosphahexacosan-1-aminium, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, Y, Li, T, Luo, Y, Chao, Y, Jia, G, Zhou, Z, Su, Z, Qu, Q, Li, D. | Deposit date: | 2022-01-13 | Release date: | 2022-04-27 | Last modified: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (2.53 Å) | Cite: | Molecular insights into biogenesis of glycosylphosphatidylinositol anchor proteins. Nat Commun, 13, 2022
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1R8N
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7XRL
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![BU of 7xrl by Molmil](/molmil-images/mine/7xrl) | Diol dehydratase complexed with AdoMeCbl and 1,2-propanediol | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol, AMMONIUM ION, CALCIUM ION, ... | Authors: | Shibata, N, Toraya, T. | Deposit date: | 2022-05-10 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Insights into the Very Low Activity of the Homocoenzyme B 12 Adenosylmethylcobalamin in Coenzyme B 12 -Dependent Diol Dehydratase and Ethanolamine Ammonia-Lyase. Chemistry, 28, 2022
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1AYW
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![BU of 1ayw by Molmil](/molmil-images/mine/1ayw) | CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT BENZYLOXYBENZOYLCARBOHYDRAZIDE INHIBITOR | Descriptor: | 1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE, CATHEPSIN K | Authors: | Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. | Deposit date: | 1997-11-10 | Release date: | 1998-11-25 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design of potent and selective human cathepsin K inhibitors that span the active site. Proc.Natl.Acad.Sci.USA, 94, 1997
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4OD0
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![BU of 4od0 by Molmil](/molmil-images/mine/4od0) | Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea | Descriptor: | 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | Authors: | Lee, K.S.S, Liu, J, Wagner, K.M, Pakhomova, S, Dong, H, Morisseau, C, Fu, S.H, Yang, J, Wang, P, Ulu, A, Mate, C, Nguyen, L, Wullf, H, Eldin, M.L, Mara, A.A, Newcomer, M.E, Zeldin, D.C, Hammock, B.D. | Deposit date: | 2014-01-09 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy. J.Med.Chem., 57, 2014
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2XFU
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![BU of 2xfu by Molmil](/molmil-images/mine/2xfu) | Human monoamine oxidase B with tranylcypromine | Descriptor: | 3-PHENYLPROPANAL, Amine oxidase [flavin-containing] B, [[(2R,3S,4S)-5-[(4AS)-7,8-DIMETHYL-2,4-DIOXO-4A,5-DIHYDROBENZO[G]PTERIDIN-10-YL]-2,3,4-TRIHYDROXY-PENTOXY]-HYDROXY-PHOSPHORYL] [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL HYDROGEN PHOSPHATE | Authors: | Binda, C, Li, M, Hubalek, F, Restelli, N, Edmondson, D.E, Mattevi, A. | Deposit date: | 2010-05-26 | Release date: | 2010-06-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Potentiation of ligand binding through cooperative effects in monoamine oxidase B. J. Biol. Chem., 285, 2010
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3E5A
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![BU of 3e5a by Molmil](/molmil-images/mine/3e5a) | Crystal structure of Aurora A in complex with VX-680 and TPX2 | Descriptor: | CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, SULFATE ION, Serine/threonine-protein kinase 6, ... | Authors: | Zhao, B, Smallwood, A, Lai, Z. | Deposit date: | 2008-08-13 | Release date: | 2008-10-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Modulation of kinase-inhibitor interactions by auxiliary protein binding: crystallography studies on Aurora A interactions with VX-680 and with TPX2. Protein Sci., 17, 2008
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2WZP
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![BU of 2wzp by Molmil](/molmil-images/mine/2wzp) | Structures of Lactococcal Phage p2 Baseplate Shed Light on a Novel Mechanism of Host Attachment and Activation in Siphoviridae | Descriptor: | CAMELID VHH5, LACTOCOCCAL PHAGE P2 ORF15, LACTOCOCCAL PHAGE P2 ORF16, ... | Authors: | Sciara, G, Bebeacua, C, Bron, P, Tremblay, D, Ortiz-Lombardia, M, Lichiere, J, van Heel, M, Campanacci, V, Moineau, S, Cambillau, C. | Deposit date: | 2009-12-01 | Release date: | 2010-02-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of Lactococcal Phage P2 Baseplate and its Mechanism of Activation. Proc.Natl.Acad.Sci.USA, 107, 2010
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4Y7F
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![BU of 4y7f by Molmil](/molmil-images/mine/4y7f) | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and 3-(phosphonooxy)propanoic acid (PPA) - GpgS Mn2+ UDP-Glc PPA | Descriptor: | 1,2-ETHANEDIOL, 3-(phosphonooxy)propanoic acid, Glucosyl-3-phosphoglycerate synthase, ... | Authors: | Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E. | Deposit date: | 2015-02-14 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.231 Å) | Cite: | A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase. Angew.Chem.Int.Ed.Engl., 54, 2015
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5NP8
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![BU of 5np8 by Molmil](/molmil-images/mine/5np8) | PGK1 in complex with CRT0063465 (3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid) | Descriptor: | 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, 3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid, ... | Authors: | Turnbull, A.P, Bilsland, A.E, Liu, Y, Sumpton, D, Stevenson, K, Cairney, C.J, Roffey, J, Jenkinson, D, Keith, W.N. | Deposit date: | 2017-04-13 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Novel Pyrazolopyrimidine Ligand of Human PGK1 and Stress Sensor DJ1 Modulates the Shelterin Complex and Telomere Length Regulation. Neoplasia, 21, 2019
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1TAE
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4LWI
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![BU of 4lwi by Molmil](/molmil-images/mine/4lwi) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6 | Descriptor: | Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide | Authors: | Li, J, Shi, F, Xiong, B, He, J. | Deposit date: | 2013-07-27 | Release date: | 2014-07-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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4Z68
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![BU of 4z68 by Molmil](/molmil-images/mine/4z68) | Hybrid structural analysis of the Arp2/3 regulator Arpin identifies its acidic tail as a primary binding epitope | Descriptor: | GLU-ILE-ARG-GLU-GLN-GLY-ASP-GLY-ALA-GLU-ASP-GLU, SULFATE ION, Tankyrase-2 | Authors: | Fetics, S.K, Campanacci, V, Dang, I, Gautreau, A, Cherfils, J. | Deposit date: | 2015-04-04 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.859 Å) | Cite: | Hybrid Structural Analysis of the Arp2/3 Regulator Arpin Identifies Its Acidic Tail as a Primary Binding Epitope. Structure, 24, 2016
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3H1D
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![BU of 3h1d by Molmil](/molmil-images/mine/3h1d) | Structure of the HUWE1 HECT Domain | Descriptor: | E3 ubiquitin-protein ligase HUWE1, SULFATE ION | Authors: | Partridge, J.R, Schwartz, T.U. | Deposit date: | 2009-04-11 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | A structural element within the HUWE1 HECT domain modulates self-ubiquitination and substrate ubiquitination activities. J.Biol.Chem., 285, 2010
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1BV1
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![BU of 1bv1 by Molmil](/molmil-images/mine/1bv1) | BIRCH POLLEN ALLERGEN BET V 1 | Descriptor: | BET V 1 | Authors: | Gajhede, M, Osmark, P, Poulsen, F.M, Ipsen, H, Larson, J.N, Joostvan, R.J, Schou, C, Lowenstein, H, Spangfort, M.D. | Deposit date: | 1997-07-08 | Release date: | 1997-09-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray and NMR structure of Bet v 1, the origin of birch pollen allergy. Nat.Struct.Biol., 3, 1996
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6K57
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![BU of 6k57 by Molmil](/molmil-images/mine/6k57) | Crystal structure of dCas9 in complex with sgRNA and DNA (CGA PAM) | Descriptor: | CRISPR-associated endonuclease Cas9, non-target DNA, sgRNA, ... | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | Deposit date: | 2019-05-28 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease. Plos Biol., 17, 2019
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7YFK
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![BU of 7yfk by Molmil](/molmil-images/mine/7yfk) | The structure of human pregnane X receptor in complex with an SRC-1 coactivator peptide and a limonoid compound, nomilin | Descriptor: | Nomilin, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 | Authors: | Xia, Y, Yao, D, Huang, C, Cao, Y. | Deposit date: | 2022-07-08 | Release date: | 2023-06-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pregnane X receptor agonist nomilin extends lifespan and healthspan in preclinical models through detoxification functions. Nat Commun, 14, 2023
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3BY4
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3C0R
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7LHB
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![BU of 7lhb by Molmil](/molmil-images/mine/7lhb) | Crystal structure of Bcl-2 in complex with prodrug ABBV-167 | Descriptor: | Apoptosis regulator Bcl-2, Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester | Authors: | Judge, R.A, Salem, A.H. | Deposit date: | 2021-01-21 | Release date: | 2021-04-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.068 Å) | Cite: | Expanding the Repertoire for "Large Small Molecules": Prodrug ABBV-167 Efficiently Converts to Venetoclax with Reduced Food Effect in Healthy Volunteers. Mol.Cancer Ther., 20, 2021
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6JB3
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![BU of 6jb3 by Molmil](/molmil-images/mine/6jb3) | Structure of SUR1 subunit bound with repaglinide | Descriptor: | ATP-binding cassette sub-family C member 8 isoform X2, Digitonin, Repaglinide | Authors: | Chen, L, Ding, D, Wang, M, Wu, J.-X, Kang, Y. | Deposit date: | 2019-01-25 | Release date: | 2019-05-22 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | The Structural Basis for the Binding of Repaglinide to the Pancreatic KATPChannel. Cell Rep, 27, 2019
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6K4S
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![BU of 6k4s by Molmil](/molmil-images/mine/6k4s) | Crystal structure of xCas9 in complex with sgRNA and DNA (TGC PAM) | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, non-targeted DNA, sgRNA, ... | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | Deposit date: | 2019-05-26 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease. Plos Biol., 17, 2019
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