2H9E
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![BU of 2h9e by Molmil](/molmil-images/mine/2h9e) | Crystal Structure of FXa/selectide/NAPC2 ternary complex | Descriptor: | ACETATE ION, Anti-coagulant protein C2, Coagulation factor X heavy chain, ... | Authors: | Murakami, M.T, Geiger, G, Tulinsky, A, Arni, R.K. | Deposit date: | 2006-06-09 | Release date: | 2007-02-13 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Intermolecular Interactions and Characterization of the Novel Factor Xa Exosite Involved in Macromolecular Recognition and Inhibition: Crystal Structure of Human Gla-domainless Factor Xa Complexed with the Anticoagulant Protein NAPc2 from the Hematophagous Nematode Ancylostoma caninum. J.Mol.Biol., 366, 2007
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7YXU
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![BU of 7yxu by Molmil](/molmil-images/mine/7yxu) | Crystal structure of agonistic antibody 1618 fab domain bound to human 4-1BB. | Descriptor: | MANGANESE (II) ION, Tumor necrosis factor receptor superfamily member 9, heavy chain of Fab, ... | Authors: | Hakansson, M, Rose, N, Petersson, J, Enell Smith, K, Thorolfsson, M, von Schantz, L. | Deposit date: | 2022-02-16 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | The Bispecific Tumor Antigen-Conditional 4-1BB x 5T4 Agonist, ALG.APV-527, Mediates Strong T-Cell Activation and Potent Antitumor Activity in Preclinical Studies. Mol.Cancer Ther., 22, 2023
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5XFT
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5M8Z
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![BU of 5m8z by Molmil](/molmil-images/mine/5m8z) | PCE reductive dehalogenase from S. multivorans in complex with 2,3-difluorophenol | Descriptor: | 2,3-bis(fluoranyl)phenol, BENZAMIDINE, GLYCEROL, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-10-30 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.659 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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5MAR
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![BU of 5mar by Molmil](/molmil-images/mine/5mar) | Structure of human SIRT2 in complex with 1,2,4-Oxadiazole inhibitor and ADP ribose. | Descriptor: | 1,2-ETHANEDIOL, 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol, ACETATE ION, ... | Authors: | Moniot, S, Steegborn, C. | Deposit date: | 2016-11-04 | Release date: | 2017-03-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Development of 1,2,4-Oxadiazoles as Potent and Selective Inhibitors of the Human Deacetylase Sirtuin 2: Structure-Activity Relationship, X-ray Crystal Structure, and Anticancer Activity. J. Med. Chem., 60, 2017
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1WD9
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![BU of 1wd9 by Molmil](/molmil-images/mine/1wd9) | Calcium bound form of human peptidylarginine deiminase type4 (PAD4) | Descriptor: | CALCIUM ION, Protein-arginine deiminase type IV, SULFATE ION | Authors: | Arita, K, Hashimoto, H, Shimizu, T, Nakashima, K, Yamada, M, Sato, M. | Deposit date: | 2004-05-12 | Release date: | 2004-07-13 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for Ca(2+)-induced activation of human PAD4 Nat.Struct.Mol.Biol., 11, 2004
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2MQF
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![BU of 2mqf by Molmil](/molmil-images/mine/2mqf) | NMR structure of spider toxin-TRTX-Hhn2b | Descriptor: | Mu-theraphotoxin-Hhn2b | Authors: | Klint, J.K, Chin, Y.K.Y, Mobli, M. | Deposit date: | 2014-06-19 | Release date: | 2015-07-15 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Rational Engineering Defines a Molecular Switch That Is Essential for Activity of Spider-Venom Peptides against the Analgesics Target NaV1.7 Mol.Pharmacol., 88, 2015
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2MTU
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![BU of 2mtu by Molmil](/molmil-images/mine/2mtu) | Non-reducible analogues of alpha-conotoxin RgIA: [3,12]-trans dicarba RgIA | Descriptor: | Dicarba Analogues of alpha-Conotoxin RgIA | Authors: | Chhabra, S, Robinson, S.D, Norton, R.S. | Deposit date: | 2014-09-01 | Release date: | 2014-11-26 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Dicarba Analogues of alpha-Conotoxin RgIA. Structure, Stability, and Activity at Potential Pain Targets. J.Med.Chem., 57, 2014
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6AAM
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![BU of 6aam by Molmil](/molmil-images/mine/6aam) | Crystal structure of TYK2 in complex with peficitinib | Descriptor: | 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Nomura, N, Tomimoto, Y. | Deposit date: | 2018-07-18 | Release date: | 2018-08-15 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor Bioorg. Med. Chem., 26, 2018
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4CSK
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![BU of 4csk by Molmil](/molmil-images/mine/4csk) | human Aquaporin | Descriptor: | AQUAPORIN-1 | Authors: | Ruiz-Carrillo, D, To-Yiu-Ying, J, Darwis, D, Soon, C.H, Cornvik, T, Torres, J, Lescar, J. | Deposit date: | 2014-03-08 | Release date: | 2014-12-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.28 Å) | Cite: | Crystallization and Preliminary Crystallographic Analysis of Human Aquaporin 1 at a Resolution of 3.28 A. Acta Crystallogr.,Sect.F, 70, 2014
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2MPU
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![BU of 2mpu by Molmil](/molmil-images/mine/2mpu) | Structural and Functional analysis of the Hordeum vulgare L. HvGR-RBP1 protein, a glycine-rich RNA binding protein implicated in the regulation of barley leaf senescence and environmental adaptation | Descriptor: | RBP1 | Authors: | Mason, K.E, Tripet, B.P, Eilers, B.J, Powell, P, Fischer, A.M, Copie, V. | Deposit date: | 2014-06-02 | Release date: | 2014-12-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural and Biochemical Analysis of the Hordeum vulgare L. HvGR-RBP1 Protein, a Glycine-Rich RNA-Binding Protein Involved in the Regulation of Barley Plant Development and Stress Response. Biochemistry, 53, 2014
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8CK3
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![BU of 8ck3 by Molmil](/molmil-images/mine/8ck3) | STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-(3,5-Difluoro-phenyl)-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol | Descriptor: | (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, DIMETHYL SULFOXIDE, ... | Authors: | Musil, D, Lehmannn, M, Diehl, L. | Deposit date: | 2023-02-14 | Release date: | 2023-07-19 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.707 Å) | Cite: | Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors. J.Med.Chem., 66, 2023
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5M7L
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![BU of 5m7l by Molmil](/molmil-images/mine/5m7l) | Blastochloris viridis photosynthetic reaction center synchrotron structure | Descriptor: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ... | Authors: | Sharma, A.S, Johansson, L, Dunevall, E, Wahlgren, W.Y, Neutze, R, Katona, G. | Deposit date: | 2016-10-28 | Release date: | 2017-02-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Asymmetry in serial femtosecond crystallography data. Acta Crystallogr A Found Adv, 73, 2017
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2GSA
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8CK8
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1WMP
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![BU of 1wmp by Molmil](/molmil-images/mine/1wmp) | Crystal structure of amine oxidase complexed with cobalt ion | Descriptor: | COBALT (II) ION, Phenylethylamine oxidase | Authors: | Okajima, T, Kishishita, S, Chiu, Y.C, Murakawa, T, Kim, M, Yamaguchi, H, Hirota, S, Kuroda, S, Tanizawa, K. | Deposit date: | 2004-07-13 | Release date: | 2005-08-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Reinvestigation of metal ion specificity for quinone cofactor biogenesis in bacterial copper amine oxidase Biochemistry, 44, 2005
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5XE2
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![BU of 5xe2 by Molmil](/molmil-images/mine/5xe2) | Endoribonuclease from Mycobacterial species | Descriptor: | Endoribonuclease MazF4 | Authors: | Ahn, D.-H, Lee, K.-Y, Lee, S.J, Yoon, H.J, Kim, S.-J, Lee, B.-J. | Deposit date: | 2017-03-31 | Release date: | 2017-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural analyses of the MazEF4 toxin-antitoxin pair in Mycobacterium tuberculosis provide evidence for a unique extracellular death factor. J. Biol. Chem., 292, 2017
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8CK4
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![BU of 8ck4 by Molmil](/molmil-images/mine/8ck4) | STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (4S)-1-(3,5-difluorophenyl)-5,5-difluoro-3-methanesulfonyl-4,5,6,7-tetrahydro-2-benzothiophen-4-ol | Descriptor: | (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | Authors: | Musil, D. | Deposit date: | 2023-02-14 | Release date: | 2023-07-19 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors. J.Med.Chem., 66, 2023
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5M91
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![BU of 5m91 by Molmil](/molmil-images/mine/5m91) | PCE reductive dehalogenase from S. multivorans in complex with 2,6-dibromophenol | Descriptor: | 2,6-bis(bromanyl)phenol, BENZAMIDINE, GLYCEROL, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-10-31 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.719 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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2HHT
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![BU of 2hht by Molmil](/molmil-images/mine/2hht) | C:O6-methyl-guanine pair in the polymerase-2 basepair position | Descriptor: | 5'-D(*GP*CP*GP*AP*TP*CP*AP*GP*CP*TP*CP*G)-3', 5'-D(*GP*TP*AP*CP*(6OG)P*AP*GP*CP*TP*GP*AP*TP*CP*GP*CP*A)-3', DNA polymerase I, ... | Authors: | Warren, J.J, Forsberg, L.J, Beese, L.S. | Deposit date: | 2006-06-28 | Release date: | 2006-12-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The structural basis for the mutagenicity of O6-methyl-guanine lesions. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2N2R
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![BU of 2n2r by Molmil](/molmil-images/mine/2n2r) | NMR solution structure of RsAFP2 | Descriptor: | Defensin-like protein 2 | Authors: | Harvey, P.J, Craik, D.J, Vriens, K. | Deposit date: | 2015-05-12 | Release date: | 2016-05-25 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The radish defensins RsAFP1 and RsAFP2 act synergistically with caspofungin against Candida albicans biofilms. Peptides, 75, 2016
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7YXF
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![BU of 7yxf by Molmil](/molmil-images/mine/7yxf) | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | Deposit date: | 2022-02-16 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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2MXM
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2HHW
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![BU of 2hhw by Molmil](/molmil-images/mine/2hhw) | ddTTP:O6-methyl-guanine pair in the polymerase active site, in the closed conformation | Descriptor: | 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*TP*(6OG)P*CP*GP*AP*GP*TP*CP*AP*GP*G)-3', 5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DDG))-3', ... | Authors: | Warren, J.J, Forsberg, L.J, Beese, L.S. | Deposit date: | 2006-06-28 | Release date: | 2006-12-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The structural basis for the mutagenicity of O6-methyl-guanine lesions. Proc.Natl.Acad.Sci.Usa, 103, 2006
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1BH7
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![BU of 1bh7 by Molmil](/molmil-images/mine/1bh7) | A LOW ENERGY STRUCTURE FOR THE FINAL CYTOPLASMIC LOOP OF BAND 3, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | BAND 3 | Authors: | Askin, D, Bloomberg, G.B, Chambers, E.J, Tanner, M.J.A. | Deposit date: | 1998-06-16 | Release date: | 1998-11-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR solution structure of a cytoplasmic surface loop of the human red cell anion transporter, band 3. Biochemistry, 37, 1998
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