7V0Z
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![BU of 7v0z by Molmil](/molmil-images/mine/7v0z) | Factor XIa in Complex with Compound 2a | Descriptor: | Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | Authors: | Shaffer, P.L, Spurlino, J, Milligan, C.M. | Deposit date: | 2022-05-11 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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7V12
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![BU of 7v12 by Molmil](/molmil-images/mine/7v12) | Factor XIa in Complex with Compound 2f | Descriptor: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain | Authors: | Shaffer, P.L, Spurlino, J, Milligan, C.M. | Deposit date: | 2022-05-11 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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4A22
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![BU of 4a22 by Molmil](/molmil-images/mine/4a22) | Structure of Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase bound to N-(4-hydroxybutyl)- glycolohydroxamic acid bis- phosphate | Descriptor: | 4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate, FRUCTOSE-BISPHOSPHATE ALDOLASE, SODIUM ION, ... | Authors: | Coincon, M, De la Paz Santangelo, M, Gest, P.M, Guerin, M.E, Pham, H, Ryan, G, Puckett, S.E, Spencer, J.S, Gonzalez-Juarrero, M, Daher, R, Lenaerts, A.J, Schnappinger, D, Therisod, M, Ehrt, S, Jackson, M, Sygusch, J. | Deposit date: | 2011-09-21 | Release date: | 2011-10-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Glycolytic and non-glycolytic functions of Mycobacterium tuberculosis fructose-1,6-bisphosphate aldolase, an essential enzyme produced by replicating and non-replicating bacilli. J. Biol. Chem., 286, 2011
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7V10
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![BU of 7v10 by Molmil](/molmil-images/mine/7v10) | Factor XIa in Complex with Compound 2d | Descriptor: | CITRIC ACID, Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | Authors: | Shaffer, P.L, Spurlino, J, Milligan, C.M. | Deposit date: | 2022-05-11 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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7D6H
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4J3Z
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![BU of 4j3z by Molmil](/molmil-images/mine/4j3z) | Crystal structure of mandelate racemase/muconate lactonizing enzyme from Jannaschia sp. CCS1 | Descriptor: | Mandelate racemase/muconate lactonizing enzyme | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-02-06 | Release date: | 2013-03-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of mandelate racemase/muconate lactonizing enzyme from Jannaschia sp. CCS1 To be Published
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4APS
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![BU of 4aps by Molmil](/molmil-images/mine/4aps) | Crystal structure of a POT family peptide transporter in an inward open conformation. | Descriptor: | CADMIUM ION, DI-OR TRIPEPTIDE H+ SYMPORTER | Authors: | Solcan, N, Kwok, J, Fowler, P.W, Cameron, A.D, Drew, D, Iwata, S, Newstead, S. | Deposit date: | 2012-04-05 | Release date: | 2012-06-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Alternating Access Mechanism in the Pot Family of Oligopeptide Transporters. Embo J., 31, 2012
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4EY5
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![BU of 4ey5 by Molmil](/molmil-images/mine/4ey5) | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-huperzine A | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M. | Deposit date: | 2012-05-01 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3012 Å) | Cite: | Structures of human acetylcholinesterase in complex with pharmacologically important ligands. J.Med.Chem., 55, 2012
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5Z2N
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![BU of 5z2n by Molmil](/molmil-images/mine/5z2n) | Structure of Orp1L N-terminal Domain | Descriptor: | Oxysterol-binding protein-related protein 1 | Authors: | Ma, X.L, Liu, K, Li, J, Li, H.H, Li, J, Yang, C.L, Liang, H.H. | Deposit date: | 2018-01-03 | Release date: | 2018-08-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | A non-canonical GTPase interaction enables ORP1L-Rab7-RILP complex formation and late endosome positioning. J. Biol. Chem., 293, 2018
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4AP5
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![BU of 4ap5 by Molmil](/molmil-images/mine/4ap5) | Crystal structure of human POFUT2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 2, ... | Authors: | Chen, C, Keusch, J.J, Klein, D, Hess, D, Hofsteenge, J, Gut, H. | Deposit date: | 2012-03-30 | Release date: | 2012-08-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | Structure of Human Pofut2: Insights Into Thrombospondin Type 1 Repeat Fold and O-Fucosylation. Embo J., 31, 2012
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6NX9
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![BU of 6nx9 by Molmil](/molmil-images/mine/6nx9) | |
2WNC
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![BU of 2wnc by Molmil](/molmil-images/mine/2wnc) | Crystal structure of Aplysia ACHBP in complex with tropisetron | Descriptor: | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE, Soluble acetylcholine receptor | Authors: | Sulzenbacher, G, Hibbs, R, Shi, J, Talley, T, Conrod, S, Kem, W, Taylor, P, Marchot, P, Bourne, Y. | Deposit date: | 2009-07-08 | Release date: | 2009-09-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor. EMBO J., 28, 2009
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6JPA
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![BU of 6jpa by Molmil](/molmil-images/mine/6jpa) | Rabbit Cav1.1-Verapamil Complex | Descriptor: | (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Zhao, Y, Huang, G, Wu, J, Yan, N. | Deposit date: | 2019-03-26 | Release date: | 2019-06-12 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Molecular Basis for Ligand Modulation of a Mammalian Voltage-Gated Ca2+Channel. Cell, 177, 2019
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6JMU
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![BU of 6jmu by Molmil](/molmil-images/mine/6jmu) | Crystal structure of GIT1/Paxillin complex | Descriptor: | ARF GTPase-activating protein GIT1, Paxillin | Authors: | Zhu, J, Lin, L, Xia, Y, Zhang, R, Zhang, M. | Deposit date: | 2019-03-13 | Release date: | 2020-05-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | GIT/PIX Condensates Are Modular and Ideal for Distinct Compartmentalized Cell Signaling. Mol.Cell, 79, 2020
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4DPG
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![BU of 4dpg by Molmil](/molmil-images/mine/4dpg) | Crystal Structure of Human LysRS: P38/AIMP2 Complex I | Descriptor: | ALANINE, Aminoacyl tRNA synthase complex-interacting multifunctional protein 2, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Fang, P, Wang, J, Bennett, S.P, Guo, M. | Deposit date: | 2012-02-13 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.844 Å) | Cite: | Structural Switch of Lysyl-tRNA Synthetase between Translation and Transcription. Mol.Cell, 49, 2013
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3V4P
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![BU of 3v4p by Molmil](/molmil-images/mine/3v4p) | crystal structure of a4b7 headpiece complexed with Fab ACT-1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Yu, Y, Zhu, J, Springer, T.A. | Deposit date: | 2011-12-15 | Release date: | 2012-01-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structural specializations of a4b7, an Integrin that Mediates Rolling Adhesion J.Cell Biol., 196, 2012
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3URL
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![BU of 3url by Molmil](/molmil-images/mine/3url) | Endothiapepsin-DB6 complex. | Descriptor: | DB6 peptide, Endothiapepsin, SULFATE ION | Authors: | Bailey, D, Sanz-Aparicio, J, Albert, A, Cooper, J.B. | Deposit date: | 2011-11-22 | Release date: | 2012-04-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An analysis of subdomain orientation, conformational change and disorder in relation to crystal packing of aspartic proteinases. Acta Crystallogr.,Sect.D, 68, 2012
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7CM3
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![BU of 7cm3 by Molmil](/molmil-images/mine/7cm3) | Cryo-EM structure of human NALCN in complex with FAM155A | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wu, J, Yan, Z, Ke, M. | Deposit date: | 2020-07-24 | Release date: | 2020-11-11 | Last modified: | 2020-12-02 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure of the human sodium leak channel NALCN in complex with FAM155A. Nat Commun, 11, 2020
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6BT5
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![BU of 6bt5 by Molmil](/molmil-images/mine/6bt5) | Human mGlu8 Receptor complexed with L-AP4 | Descriptor: | (2S)-2-amino-4-phosphonobutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 8 | Authors: | Schkeryantz, J.M, Chen, Q, Ho, J.D, Atwell, S, Zhang, A, Vargas, M.C, Wang, J, Monn, J.A, Hao, J. | Deposit date: | 2017-12-05 | Release date: | 2018-02-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Determination of L-AP4-bound human mGlu8 receptor amino terminal domain structure and the molecular basis for L-AP4's group III mGlu receptor functional potency and selectivity. Bioorg. Med. Chem. Lett., 28, 2018
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7VF5
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![BU of 7vf5 by Molmil](/molmil-images/mine/7vf5) | Human m6A-METTL associated complex (WTAP, VIRMA, and HAKAI) | Descriptor: | Pre-mRNA-splicing regulator WTAP, Protein virilizer homolog | Authors: | Su, S, Li, S, Deng, T, Gao, M, Yin, Y, Wu, B, Peng, C, Liu, J, Ma, J, Zhang, K. | Deposit date: | 2021-09-10 | Release date: | 2022-09-14 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures of human m6A writer complexes. Cell Res., 32, 2022
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7VF2
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![BU of 7vf2 by Molmil](/molmil-images/mine/7vf2) | Human m6A-METTL associated complex (WTAP, VIRMA, ZC3H13, and HAKAI) | Descriptor: | Pre-mRNA-splicing regulator WTAP, Protein virilizer homolog, Zinc finger CCCH domain-containing protein 13 | Authors: | Su, S, Li, S, Deng, T, Gao, M, Yin, Y, Wu, B, Peng, C, Liu, J, Ma, J, Zhang, K. | Deposit date: | 2021-09-10 | Release date: | 2022-09-14 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures of human m6A writer complexes. Cell Res., 32, 2022
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6HB9
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2WGH
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![BU of 2wgh by Molmil](/molmil-images/mine/2wgh) | Human Ribonucleotide reductase R1 subunit (RRM1) in complex with dATP and Mg. | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Welin, R.M, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kragh-Nielsen, T, Kotzsch, A, Kotenyova, T, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wisniewska, M, Nordlund, P. | Deposit date: | 2009-04-19 | Release date: | 2009-05-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for Allosteric Regulation of Human Ribonucleotide Reductase by Nucleotide-Induced Oligomerization. Nat.Struct.Mol.Biol., 18, 2011
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7V6N
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![BU of 7v6n by Molmil](/molmil-images/mine/7v6n) | MERS S ectodomain trimer in complex with neutralizing antibody 111 state1 | Descriptor: | 111 H, 111 L, Spike glycoprotein | Authors: | Wang, X, Zhao, J, Wang, Z, Zeng, J, Zhang, S, Wang, Y. | Deposit date: | 2021-08-20 | Release date: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (3.99 Å) | Cite: | MERS S ectodomain trimer in complex with neutralizing antibody 111 state1 to be published
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6BY8
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![BU of 6by8 by Molmil](/molmil-images/mine/6by8) | Menin in complex with MI-1482 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-1-{[(2R)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Borkin, T, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2017-12-20 | Release date: | 2018-11-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Complexity of Blocking Bivalent Protein-Protein Interactions: Development of a Highly Potent Inhibitor of the Menin-Mixed-Lineage Leukemia Interaction. J.Med.Chem., 61, 2018
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