8S9S
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![BU of 8s9s by Molmil](/molmil-images/mine/8s9s) | Structure of the human ER membrane protein complex (EMC) in GDN | Descriptor: | 1,2-DIOLEOYL-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: | Tomaleri, G.P, Nguyen, V.N, Voorhees, R.M. | Deposit date: | 2023-03-30 | Release date: | 2023-05-17 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A selectivity filter in the ER membrane protein complex limits protein misinsertion at the ER. J.Cell Biol., 222, 2023
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7NAA
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![BU of 7naa by Molmil](/molmil-images/mine/7naa) | Crystal structure of Mycobacterium tuberculosis H37Rv PknF kinase domain | Descriptor: | (4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone, Non-specific serine/threonine protein kinase | Authors: | Oliveira, A.A, Cabarca, S, dos Reis, C.V, Takarada, J.E, Counago, R.M, Balan, A, Structural Genomics Consortium (SGC) | Deposit date: | 2021-06-21 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure of the Mycobacterium tuberculosis c PknF and conformational changes induced in forkhead-associated regulatory domains. Curr Res Struct Biol, 3, 2021
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1S0Y
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![BU of 1s0y by Molmil](/molmil-images/mine/1s0y) | The structure of trans-3-chloroacrylic acid dehalogenase, covalently inactivated by the mechanism-based inhibitor 3-bromopropiolate at 2.3 Angstrom resolution | Descriptor: | MALONIC ACID, alpha-subunit of trans-3-chloroacrylic acid dehalogenase, beta-subunit of trans-3-chloroacrylic acid dehalogenase | Authors: | de Jong, R.M, Brugman, W, Poelarends, G.J, Whitman, C.P, Dijkstra, B.W. | Deposit date: | 2004-01-05 | Release date: | 2004-02-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The X-ray structure of trans-3-chloroacrylic acid dehalogenase reveals a novel hydration mechanism in the tautomerase superfamily J.Biol.Chem., 279, 2004
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5TE0
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![BU of 5te0 by Molmil](/molmil-images/mine/5te0) | Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120 | Descriptor: | AP2-associated protein kinase 1, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Counago, R.M, Elkins, J.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-20 | Release date: | 2016-11-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120 To Be Published
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1R3E
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![BU of 1r3e by Molmil](/molmil-images/mine/1r3e) | Crystal Structure of tRNA Pseudouridine Synthase TruB and Its RNA Complex: RNA-protein Recognition Through a Combination of Rigid Docking and Induced Fit | Descriptor: | 5'-R(*CP*UP*GP*UP*GP*UP*(FHU)P*CP*GP*AP*UP*CP*CP*AP*CP*AP*G)-3', 5'-R(*CP*UP*GP*UP*GP*UP*UP*CP*GP*AP*UP*CP*CP*AP*CP*AP*G)-3', tRNA pseudouridine synthase B | Authors: | Pan, H, Agarwalla, S, Moustakas, D.T, Finer-Moore, J, Stroud, R.M. | Deposit date: | 2003-10-01 | Release date: | 2003-11-04 | Last modified: | 2018-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of tRNA Pseudouridine Synthase TruB and Its RNA Complex: RNA Recognition Through a Combination of Rigid Docking and Induced Fit Proc.Natl.Acad.Sci.USA, 100, 2003
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8R5J
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![BU of 8r5j by Molmil](/molmil-images/mine/8r5j) | Crystal structure of MERS-CoV main protease | Descriptor: | Non-structural protein 11 | Authors: | Balcomb, B.H, Fairhead, M, Koekemoer, L, Lithgo, R.M, Aschenbrenner, J.C, Chandran, A.V, Godoy, A.S, Lukacik, P, Marples, P.G, Mazzorana, M, Ni, X, Strain-Damerell, C, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-11-16 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Crystal structure of MERS-CoV main protease To Be Published
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1U7C
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![BU of 1u7c by Molmil](/molmil-images/mine/1u7c) | Crystal Structure of AmtB from E.Coli with Methyl Ammonium. | Descriptor: | METHYLAMINE, Probable ammonium transporter | Authors: | Khademi, S, O'Connell III, J, Remis, J, Robles-Colmenares, Y, Miercke, L.J.W, Stroud, R.M. | Deposit date: | 2004-08-03 | Release date: | 2004-09-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mechanism of ammonia transport by Amt/MEP/Rh: structure of AmtB at 1.35 A Science, 305, 2004
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5TLQ
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![BU of 5tlq by Molmil](/molmil-images/mine/5tlq) | Model structure of the oxidized PaDsbA1 and 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine complex | Descriptor: | 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, Thiol:disulfide interchange protein DsbA | Authors: | Mohanty, B, Rimmer, K.A, McMahon, R.M, Headey, S.J, Vazirani, M, Shouldice, S.R, Coincon, M, Tay, S, Morton, C.J, Simpson, J.S, Martin, J.L, Scanlon, M.S. | Deposit date: | 2016-10-11 | Release date: | 2017-04-12 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1. PLoS ONE, 12, 2017
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1JAT
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![BU of 1jat by Molmil](/molmil-images/mine/1jat) | Mms2/Ubc13 Ubiquitin Conjugating Enzyme Complex | Descriptor: | Ubiquitin-Conjugating Enzyme E2-17.5 KDA, Ubiquitin-Conjugating Enzyme Variant Mms2 | Authors: | VanDemark, A.P, Hofmann, R.M, Tsui, C, Pickart, C.M, Wolberger, C. | Deposit date: | 2001-05-31 | Release date: | 2001-06-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular insights into polyubiquitin chain assembly: crystal structure of the Mms2/Ubc13 heterodimer. Cell(Cambridge,Mass.), 105, 2001
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1JBB
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![BU of 1jbb by Molmil](/molmil-images/mine/1jbb) | Ubiquitin Conjugating Enzyme, Ubc13 | Descriptor: | ubiquitin conjugating enzyme E2-17.5 KDA | Authors: | VanDemark, A.P, Hofmann, R.M, Tsui, C, Pickart, C.M, Wolberger, C. | Deposit date: | 2001-06-03 | Release date: | 2001-06-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular insights into polyubiquitin chain assembly: crystal structure of the Mms2/Ubc13 heterodimer. Cell(Cambridge,Mass.), 105, 2001
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5U41
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![BU of 5u41 by Molmil](/molmil-images/mine/5u41) | Human PPARdelta ligand-binding domain in complexed with specific agonist 16 | Descriptor: | 6-[2-({benzyl[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid, DI(HYDROXYETHYL)ETHER, POTASSIUM ION, ... | Authors: | Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. | Deposit date: | 2016-12-03 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1U67
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![BU of 1u67 by Molmil](/molmil-images/mine/1u67) | Crystal Structure of Arachidonic Acid Bound to a Mutant of Prostagladin H Synthase-1 that Forms Predominantly 11-HPETE. | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARACHIDONIC ACID, PROTOPORPHYRIN IX CONTAINING CO, ... | Authors: | Harman, C.A, Rieke, C.J, Garavito, R.M, Smith, W.L. | Deposit date: | 2004-07-29 | Release date: | 2004-09-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of arachidonic Acid bound to a mutant of prostaglandin endoperoxide h synthase-1 that forms predominantly 11-hydroperoxyeicosatetraenoic Acid. J.Biol.Chem., 279, 2004
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5U3R
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![BU of 5u3r by Molmil](/molmil-images/mine/5u3r) | Human PPARdelta ligand-binding domain in complexed with specific agonist 2 | Descriptor: | 6-[2-({[4-(furan-2-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor delta, ... | Authors: | Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. | Deposit date: | 2016-12-03 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U43
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![BU of 5u43 by Molmil](/molmil-images/mine/5u43) | Human PPARdelta ligand-binding domain in complexed with specific agonist 12 | Descriptor: | 6-(2-{[cyclopropyl(4'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor delta, ... | Authors: | Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. | Deposit date: | 2016-12-03 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5TVN
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![BU of 5tvn by Molmil](/molmil-images/mine/5tvn) | Crystal structure of the LSD-bound 5-HT2B receptor | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, CHOLESTEROL, ... | Authors: | Wacker, D, Wang, S, McCorvy, J.D, Betz, R.M, Venkatakrishnan, A.J, Levit, A, Lansu, K, Schools, Z.L, Che, T, Nichols, D.E, Shoichet, B.K, Dror, R.O, Roth, B.L. | Deposit date: | 2016-11-09 | Release date: | 2017-02-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of an LSD-Bound Human Serotonin Receptor. Cell, 168, 2017
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5U40
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![BU of 5u40 by Molmil](/molmil-images/mine/5u40) | Human PPARdelta ligand-binding domain in complexed with specific agonist 15 | Descriptor: | 6-[2-({benzyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor delta, ... | Authors: | Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. | Deposit date: | 2016-12-03 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8SJ9
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![BU of 8sj9 by Molmil](/molmil-images/mine/8sj9) | Crystal structure of the H1 hemagglutinin COBRA X6 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dzimianski, J.V, DuBois, R.M. | Deposit date: | 2023-04-17 | Release date: | 2024-05-01 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structural basis for the broad antigenicity of the computationally optimized influenza hemagglutinin X6. Structure, 2024
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5U42
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![BU of 5u42 by Molmil](/molmil-images/mine/5u42) | Human PPARdelta ligand-binding domain in complexed with specific agonist 11 | Descriptor: | 6-(2-{[cyclopropyl(3'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor delta, ... | Authors: | Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. | Deposit date: | 2016-12-03 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1RPN
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![BU of 1rpn by Molmil](/molmil-images/mine/1rpn) | Crystal Structure of GDP-D-mannose 4,6-dehydratase in complexes with GDP and NADPH | Descriptor: | GDP-mannose 4,6-dehydratase, GUANOSINE-5'-DIPHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Webb, N.A, Mulichak, A.M, Lam, J.S, Rocchetta, H.L, Garavito, R.M. | Deposit date: | 2003-12-03 | Release date: | 2004-02-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of a tetrameric GDP-D-mannose 4,6-dehydratase from a bacterial GDP-D-rhamnose biosynthetic pathway. Protein Sci., 13, 2004
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1S9H
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![BU of 1s9h by Molmil](/molmil-images/mine/1s9h) | Crystal Structure of Adeno-associated virus Type 2 Rep40 | Descriptor: | Rep 40 protein | Authors: | James, J.A, Escalante, C.R, Yoon-Robarts, M, Edwards, T.A, Linden, R.M, Aggarwal, A.K. | Deposit date: | 2004-02-04 | Release date: | 2004-05-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the SF3 Helicase from Adeno-Associated Virus Type 2 Structure, 11, 2003
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5U3Z
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![BU of 5u3z by Molmil](/molmil-images/mine/5u3z) | Human PPARdelta ligand-binding domain in complexed with specific agonist 10 | Descriptor: | 6-[2-({cyclopropyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor delta, ... | Authors: | Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. | Deposit date: | 2016-12-03 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U9R
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![BU of 5u9r by Molmil](/molmil-images/mine/5u9r) | Ocellatin-LB2, solution structure in TFE by NMR spectroscopy | Descriptor: | Ocellatin-LB2 | Authors: | Gusmao, K.A.G, dos Santos, D.M, Santos, V.M, Pilo-Veloso, D, Verly, R.M, de Lima, M.E, Resende, J.M. | Deposit date: | 2016-12-18 | Release date: | 2017-03-29 | Last modified: | 2018-04-18 | Method: | SOLUTION NMR | Cite: | NMR structures in different membrane environments of three ocellatin peptides isolated from Leptodactylus labyrinthicus. Peptides, 103, 2018
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8SJB
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![BU of 8sjb by Molmil](/molmil-images/mine/8sjb) | Crystal structure of Zn2+ bound calprotectin variant H87C | Descriptor: | CALCIUM ION, NONAETHYLENE GLYCOL, Protein S100-A8, ... | Authors: | Perera, Y.R, Rodriguez, A.M, Garcia, V, Guillen, R.M, Chazin, W.J. | Deposit date: | 2023-04-17 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal structure of Zn2+ bound calprotectin To Be Published
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1SQF
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![BU of 1sqf by Molmil](/molmil-images/mine/1sqf) | The crystal structure of E. coli Fmu binary complex with S-Adenosylmethionine at 2.1 A resolution | Descriptor: | S-ADENOSYLMETHIONINE, SUN protein | Authors: | Foster, P.G, Nunes, C.R, Greene, P, Moustakas, D, Stroud, R.M. | Deposit date: | 2004-03-18 | Release date: | 2004-05-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The First Structure of an RNA m5C Methyltransferase,
Fmu, Provides Insight into Catalytic Mechanism
and Specific Binding of RNA Substrate Structure, 11, 2003
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5UG2
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![BU of 5ug2 by Molmil](/molmil-images/mine/5ug2) | CcP gateless cavity | Descriptor: | 6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | Authors: | Stein, R.M, Fischer, M, Shoichet, B.K. | Deposit date: | 2017-01-06 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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