5CUI
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![BU of 5cui by Molmil](/molmil-images/mine/5cui) | Crystal structure of Human Defensin-5 R28A mutant. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CHLORIDE ION, ... | Authors: | Tolbert, W.D, Gohain, N, Pazgier, M. | Deposit date: | 2015-07-24 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.403 Å) | Cite: | Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion. Immunity, 2018
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5M45
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![BU of 5m45 by Molmil](/molmil-images/mine/5m45) | Structure of Acetone Carboxylase purified from Xanthobacter autotrophicus | Descriptor: | 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ACETATE ION, ADENOSINE MONOPHOSPHATE, ... | Authors: | Kabasakal, B.V, Wells, J.N, Nwaobi, B.C, Eilers, B.J, Peters, J.W, Murray, J.W. | Deposit date: | 2016-10-18 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural Basis for the Mechanism of ATP-Dependent Acetone Carboxylation. Sci Rep, 7, 2017
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5JGL
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![BU of 5jgl by Molmil](/molmil-images/mine/5jgl) | Crystal structure of GtmA in complex with S-Adenosylmethionine | Descriptor: | S-ADENOSYLMETHIONINE, SODIUM ION, UbiE/COQ5 family methyltransferase, ... | Authors: | Dolan, S.K, Bock, T, Hering, V, Jones, G.W, Blankenfeldt, W, Doyle, S. | Deposit date: | 2016-04-20 | Release date: | 2017-03-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural, mechanistic and functional insight into gliotoxinbis-thiomethylation inAspergillus fumigatus. Open Biol, 7, 2017
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6XQP
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![BU of 6xqp by Molmil](/molmil-images/mine/6xqp) | Structure of human D462-E4 TCR in complex with human MR1-5-OP-RU | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, BROMIDE ION, Beta-2-microglobulin, ... | Authors: | Awad, W, Rossjohn, J. | Deposit date: | 2020-07-10 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Atypical TRAV1-2 - T cell receptor recognition of the antigen-presenting molecule MR1. J.Biol.Chem., 295, 2020
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8B4F
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![BU of 8b4f by Molmil](/molmil-images/mine/8b4f) | Crystal structure of human cathepsin L forming a thiohemiacetal with N-Boc-2-aminoacetaldehyde | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2022-09-20 | Release date: | 2023-09-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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7V26
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![BU of 7v26 by Molmil](/molmil-images/mine/7v26) | XG005-bound SARS-CoV-2 S | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, XG005 Heavy chain, ... | Authors: | Zhan, W.Q, Zhang, X, Sun, L, Chen, Z.G. | Deposit date: | 2021-08-07 | Release date: | 2021-10-20 | Last modified: | 2022-07-06 | Method: | ELECTRON MICROSCOPY (3.85 Å) | Cite: | An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope. Protein Cell, 13, 2022
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8HCH
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![BU of 8hch by Molmil](/molmil-images/mine/8hch) | Crystal structure of mTREX1-Uridine complex | Descriptor: | MAGNESIUM ION, Three-prime repair exonuclease 1, URIDINE | Authors: | Hsiao, Y.Y, Huang, K.W, Wu, C.Y. | Deposit date: | 2022-11-01 | Release date: | 2023-11-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular insight into the specific enzymatic properties of TREX1 revealing the diverse functions in processing RNA and DNA/RNA hybrids. Nucleic Acids Res., 51, 2023
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5M64
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![BU of 5m64 by Molmil](/molmil-images/mine/5m64) | RNA Polymerase I elongation complex with A49 tandem winged helix domain | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | Authors: | Tafur, L, Sadian, Y, Hoffmann, N.A, Jakobi, A.J, Wetzel, R, Hagen, W.J.H, Sachse, C, Muller, C.W. | Deposit date: | 2016-10-24 | Release date: | 2016-12-21 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Molecular Structures of Transcribing RNA Polymerase I. Mol. Cell, 64, 2016
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5TLN
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![BU of 5tln by Molmil](/molmil-images/mine/5tln) | |
1ZRP
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![BU of 1zrp by Molmil](/molmil-images/mine/1zrp) | SOLUTION-STATE STRUCTURE BY NMR OF ZINC-SUBSTITUTED RUBREDOXIN FROM THE MARINE HYPERTHERMOPHILIC ARCHAEBACTERIUM PYROCOCCUS FURIOSUS | Descriptor: | RUBREDOXIN, ZINC ION | Authors: | Blake, P.R, Park, J.B, Zhou, Z.H, Hare, D.R, Adams, M.W.W, Summers, M.F. | Deposit date: | 1992-07-10 | Release date: | 1993-10-31 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution-state structure by NMR of zinc-substituted rubredoxin from the marine hyperthermophilic archaebacterium Pyrococcus furiosus. Protein Sci., 1, 1992
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205L
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![BU of 205l by Molmil](/molmil-images/mine/205l) | |
1HC1
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![BU of 1hc1 by Molmil](/molmil-images/mine/1hc1) | |
6OFD
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![BU of 6ofd by Molmil](/molmil-images/mine/6ofd) | The crystal structure of octadecyloxy(naphthalen-1-yl)methylphosphonic acid in complex with red kidney bean purple acid phosphatase | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Feder, D, Schenk, G, Guddat, L.W, Hussein, W.M, McGeary, R.P, Kan, M.W. | Deposit date: | 2019-03-29 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis. Eur.J.Med.Chem., 182, 2019
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6X1O
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![BU of 6x1o by Molmil](/molmil-images/mine/6x1o) | WOR5 from Pyrococcus furiosus, as crystallized | Descriptor: | (1R)-1-hydroxybutane-1-sulfonic acid, CHLORIDE ION, Formaldehyde:ferredoxin oxidoreductase wor5, ... | Authors: | Mathew, L.G, Lanzilotta, W.N. | Deposit date: | 2020-05-19 | Release date: | 2021-11-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.094 Å) | Cite: | An unprecedented function for a tungsten-containing oxidoreductase. J.Biol.Inorg.Chem., 27, 2022
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4AT1
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![BU of 4at1 by Molmil](/molmil-images/mine/4at1) | STRUCTURAL CONSEQUENCES OF EFFECTOR BINDING TO THE T STATE OF ASPARTATE CARBAMOYLTRANSFERASE. CRYSTAL STRUCTURES OF THE UNLIGATED AND ATP-, AND CTP-COMPLEXED ENZYMES AT 2.6-ANGSTROMS RESOLUTION | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ASPARTATE CARBAMOYLTRANSFERASE (T STATE), CATALYTIC CHAIN, ... | Authors: | Stevens, R.C, Gouaux, J.E, Lipscomb, W.N. | Deposit date: | 1990-04-26 | Release date: | 1990-10-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural consequences of effector binding to the T state of aspartate carbamoyltransferase: crystal structures of the unligated and ATP- and CTP-complexed enzymes at 2.6-A resolution. Biochemistry, 29, 1990
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1YEM
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![BU of 1yem by Molmil](/molmil-images/mine/1yem) | Conserved hypothetical protein Pfu-838710-001 from Pyrococcus furiosus | Descriptor: | Conserved hypothetical protein Pfu-838710-001, PLATINUM (II) ION, UNKNOWN ATOM OR ION | Authors: | Yang, H, Chang, J, Shah, A, Ng, J.D, Liu, Z.-J, Chen, L, Lee, D, Tempel, W, Praissman, J.L, Lin, D, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Jenney Jr, F.E, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-12-28 | Release date: | 2005-01-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conserved hypothetical protein Pfu-838710-001 from Pyrococcus furiosus To be published
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5NRF
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![BU of 5nrf by Molmil](/molmil-images/mine/5nrf) | Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7i | Descriptor: | 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-chlorophenyl)ethyl]-~{N}-(phenylmethyl)piperidin-4-amine, Chitotriosidase-1, GLYCEROL | Authors: | Mazur, M, Olczak, J, Olejniczak, S, Koralewski, R, Czestkowski, W, Jedrzejczak, A, Golab, J, Dzwonek, K, Dymek, B, Sklepkiewicz, P, Zagozdzon, A, Noonan, T, Mahboubi, K, Conway, B, Sheeler, R, Beckett, P, Hungerford, W.M, Podjarny, A, Mitschler, A, Cousido-Siah, A, Fadel, F, Golebiowski, A. | Deposit date: | 2017-04-22 | Release date: | 2018-03-28 | Method: | X-RAY DIFFRACTION (1.447 Å) | Cite: | Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma. J. Med. Chem., 61, 2018
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258L
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![BU of 258l by Molmil](/molmil-images/mine/258l) | AN ADAPTABLE METAL-BINDING SITE ENGINEERED INTO T4 LYSOZYME | Descriptor: | CHLORIDE ION, LYSOZYME, ZINC ION | Authors: | Wray, J.W, Baase, W.A, Ostheimer, G.J, Matthews, B.W. | Deposit date: | 1999-01-05 | Release date: | 2000-09-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Use of a non-rigid region in T4 lysozyme to design an adaptable metal-binding site. Protein Eng., 13, 2000
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1TMN
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![BU of 1tmn by Molmil](/molmil-images/mine/1tmn) | |
2A2X
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![BU of 2a2x by Molmil](/molmil-images/mine/2a2x) | Orally Active Thrombin Inhibitors in Complex with Thrombin Inh12 | Descriptor: | N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE, Thrombin heavy chain, Thrombin light chain, ... | Authors: | Lange, U.E.W, Baucke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. | Deposit date: | 2005-06-23 | Release date: | 2006-11-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety BIOORG.MED.CHEM.LETT., 16, 2006
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259L
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![BU of 259l by Molmil](/molmil-images/mine/259l) | AN ADAPTABLE METAL-BINDING SITE ENGINEERED INTO T4 LYSOZYME | Descriptor: | CHLORIDE ION, COBALT (II) ION, PROTEIN (LYSOZYME) | Authors: | Wray, J.W, Baase, W.A, Ostheimer, G.J, Matthews, B.W. | Deposit date: | 1999-02-10 | Release date: | 1999-04-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Use of a non-rigid region in T4 lysozyme to design an adaptable metal-binding site. Protein Eng., 13, 2000
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260L
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![BU of 260l by Molmil](/molmil-images/mine/260l) | AN ADAPTABLE METAL-BINDING SITE ENGINEERED INTO T4 LYSOZYME | Descriptor: | CHLORIDE ION, NICKEL (II) ION, PROTEIN (LYSOZYME) | Authors: | Wray, J.W, Baase, W.A, Ostheimer, G.J, Matthews, B.W. | Deposit date: | 1999-03-01 | Release date: | 2000-09-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Use of a non-rigid region in T4 lysozyme to design an adaptable metal-binding site. Protein Eng., 13, 2000
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257L
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![BU of 257l by Molmil](/molmil-images/mine/257l) | AN ADAPTABLE METAL-BINDING SITE ENGINEERED INTO T4 LYSOZYME | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, PROTEIN (LYSOZYME) | Authors: | Wray, J.W, Baase, W.A, Ostheimer, G.J, Matthews, B.W. | Deposit date: | 1999-01-05 | Release date: | 2000-09-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Use of a non-rigid region in T4 lysozyme to design an adaptable metal-binding site. Protein Eng., 13, 2000
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1YBZ
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![BU of 1ybz by Molmil](/molmil-images/mine/1ybz) | Conserved hypothetical protein from Pyrococcus furiosus Pfu-1581948-001 | Descriptor: | UNKNOWN ATOM OR ION, chorismate mutase | Authors: | Lee, D, Chen, L, Nguyen, D, Dillard, B.D, Tempel, W, Habel, J, Zhou, W, Chang, S.-H, Kelley, L.-L.C, Liu, Z.-J, Lin, D, Zhang, H, Praissman, J, Bridger, S, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.-S, Li, T, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-12-21 | Release date: | 2005-02-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Conserved hypothetical protein from Pyrococcus furiosus Pfu-1581948-001 To be published
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2ANK
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![BU of 2ank by Molmil](/molmil-images/mine/2ank) | orally active thrombin inhibitors in complex with thrombin and an exosite decapeptide | Descriptor: | N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE, Thrombin heavy chain, Thrombin light chain, ... | Authors: | Lange, U.E.W, Baucke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. | Deposit date: | 2005-08-11 | Release date: | 2006-11-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety BIOORG.MED.CHEM.LETT., 16, 2006
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