1C3T
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1C57
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![BU of 1c57 by Molmil](/molmil-images/mine/1c57) | DIRECT DETERMINATION OF THE POSITIONS OF DEUTERIUM ATOMS OF BOUND WATER IN CONCANAVALIN A BY NEUTRON LAUE CRYSTALLOGRAPHY | Descriptor: | CALCIUM ION, Concanavalin-Br, MANGANESE (II) ION | Authors: | Habash, J, Raftery, J, Nuttall, R, Price, H.J, Lehmann, M.S, Wilkinson, C, Kalb, A.J, Helliwell, J.R. | Deposit date: | 1999-10-26 | Release date: | 2000-05-08 | Last modified: | 2023-12-27 | Method: | NEUTRON DIFFRACTION (2.4 Å) | Cite: | Direct determination of the positions of the deuterium atoms of the bound water in -concanavalin A by neutron Laue crystallography. Acta Crystallogr.,Sect.D, 56, 2000
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4K2F
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![BU of 4k2f by Molmil](/molmil-images/mine/4k2f) | Structure of Pseudomonas aeruginosa PvdQ bound to BRD-A08522488 | Descriptor: | (2S)-(4-chlorophenyl)(6-chloropyridin-2-yl)ethanenitrile, 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase PvdQ | Authors: | Drake, E.J, Wurst, J.M, Theriault, J.R, Munoz, B, Gulick, A.M. | Deposit date: | 2013-04-09 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Identification of Inhibitors of PvdQ, an Enzyme Involved in the Synthesis of the Siderophore Pyoverdine. Acs Chem.Biol., 9, 2014
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1AKX
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4K2G
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![BU of 4k2g by Molmil](/molmil-images/mine/4k2g) | Structure of Pseudomonas aeruginosa PvdQ bound to BRD-A33442372 | Descriptor: | (2S)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile, 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase PvdQ | Authors: | Drake, E.J, Wurst, J.M, Theriault, J.R, Munoz, B, Gulick, A.M. | Deposit date: | 2013-04-09 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of Inhibitors of PvdQ, an Enzyme Involved in the Synthesis of the Siderophore Pyoverdine. Acs Chem.Biol., 9, 2014
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1AJU
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1DDN
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![BU of 1ddn by Molmil](/molmil-images/mine/1ddn) | DIPHTHERIA TOX REPRESSOR (C102D MUTANT)/TOX DNA OPERATOR COMPLEX | Descriptor: | 33 BASE DNA CONTAINING TOXIN OPERATOR, DIPHTHERIA TOX REPRESSOR, NICKEL (II) ION | Authors: | White, A, Ding, X, Vanderspek, J.C, Murphy, J.R, Ringe, D. | Deposit date: | 1998-06-23 | Release date: | 1998-10-14 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the metal-ion-activated diphtheria toxin repressor/tox operator complex. Nature, 394, 1998
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6OX0
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![BU of 6ox0 by Molmil](/molmil-images/mine/6ox0) | SETD3 in Complex with an Actin Peptide with Sinefungin Replacing SAH as Cofactor | Descriptor: | 1,2-ETHANEDIOL, Actin Peptide, Histone-lysine N-methyltransferase setd3, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2019-05-13 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.755 Å) | Cite: | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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1ETG
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![BU of 1etg by Molmil](/molmil-images/mine/1etg) | REV RESPONSE ELEMENT (RRE) RNA COMPLEXED WITH REV PEPTIDE, NMR, 19 STRUCTURES | Descriptor: | REV PEPTIDE, REV RESPONSIVE ELEMENT RNA | Authors: | Battiste, J.L, Mao, H, Rao, N.S, Tan, R, Muhandiram, D.R, Kay, L.E, Frankel, A.D, Willamson, J.R. | Deposit date: | 1996-08-28 | Release date: | 1997-03-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Alpha helix-RNA major groove recognition in an HIV-1 rev peptide-RRE RNA complex. Science, 273, 1996
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6OX3
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![BU of 6ox3 by Molmil](/molmil-images/mine/6ox3) | SETD3 in Complex with an Actin Peptide with His73 Replaced with Lysine | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2019-05-13 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.785 Å) | Cite: | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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1ETF
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![BU of 1etf by Molmil](/molmil-images/mine/1etf) | REV RESPONSE ELEMENT (RRE) RNA COMPLEXED WITH REV PEPTIDE, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | REV PEPTIDE, REV RESPONSE ELEMENT RNA | Authors: | Battiste, J.L, Mao, H, Rao, N.S, Tan, R, Muhandiram, D.R, Kay, L.E, Frankel, A.D, Willamson, J.R. | Deposit date: | 1996-08-28 | Release date: | 1997-03-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Alpha helix-RNA major groove recognition in an HIV-1 rev peptide-RRE RNA complex. Science, 273, 1996
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6OX1
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![BU of 6ox1 by Molmil](/molmil-images/mine/6ox1) | SETD3 in Complex with an Actin Peptide with Target Histidine Partially Methylated | Descriptor: | 1,2-ETHANEDIOL, Actin, cytoplasmic 1, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2019-05-13 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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6OX4
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![BU of 6ox4 by Molmil](/molmil-images/mine/6ox4) | A SETD3 Mutant (N255A) in Complex with an Actin Peptide | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2019-05-13 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.294 Å) | Cite: | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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6OX5
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![BU of 6ox5 by Molmil](/molmil-images/mine/6ox5) | A SETD3 Mutant (N255A) in Complex with an Actin Peptide with His73 Replaced with Lysine | Descriptor: | 1,2-ETHANEDIOL, Actin Peptide, Actin-histidine N-methyltransferase, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2019-05-13 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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5WCH
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![BU of 5wch by Molmil](/molmil-images/mine/5wch) | Crystal structure of the catalytic domain of human USP9X | Descriptor: | Probable ubiquitin carboxyl-terminal hydrolase FAF-X, UNKNOWN ATOM OR ION, ZINC ION | Authors: | Dong, A, Zhang, Q, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-30 | Release date: | 2018-07-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure and activity-based labeling reveal the mechanisms for linkage-specific substrate recognition by deubiquitinase USP9X. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6OX2
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![BU of 6ox2 by Molmil](/molmil-images/mine/6ox2) | SETD3in Complex with an Actin Peptide with the Target Histidine Fully Methylated | Descriptor: | 1,2-ETHANEDIOL, Actin Peptide, GLYCEROL, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2019-05-13 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.089 Å) | Cite: | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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5VLO
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![BU of 5vlo by Molmil](/molmil-images/mine/5vlo) | The structure of human CamKII with bound inhibitor | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Calcium/calmodulin-dependent protein kinase type II subunit delta, N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methylcarbamoyl)azetidin-1-yl]-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide | Authors: | Somoza, J.R, Villasenor, A.G. | Deposit date: | 2017-04-25 | Release date: | 2017-08-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Inhibitors of CamKII To Be Published
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1CEF
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![BU of 1cef by Molmil](/molmil-images/mine/1cef) | CEFOTAXIME COMPLEXED WITH THE STREPTOMYCES R61 DD-PEPTIDASE | Descriptor: | CEFOTAXIME, C3' cleaved, open, ... | Authors: | Knox, J.R, Kuzin, A.P. | Deposit date: | 1995-01-12 | Release date: | 1996-10-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Binding of cephalothin and cefotaxime to D-ala-D-ala-peptidase reveals a functional basis of a natural mutation in a low-affinity penicillin-binding protein and in extended-spectrum beta-lactamases. Biochemistry, 34, 1995
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5WOF
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![BU of 5wof by Molmil](/molmil-images/mine/5wof) | 1.65 ANGSTROM STRUCTURE OF THE DYNEIN LIGHT CHAIN 1 FROM PLASMODIUM FALCIPARUM | Descriptor: | Dynein light chain 1, putative | Authors: | Walker, J.R, Lew, J, Amani, M, Alam, Z, Wasney, G, Boulanger, K, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Hui, R, Botchkarev, A, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2017-08-02 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Genome-scale Protein Expression and Structural Biology of
Plasmodium Falciparum and Related Apicomplexan Organisms. MOL.BIOCHEM.PARASITOL., 151, 2007
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5W9Q
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![BU of 5w9q by Molmil](/molmil-images/mine/5w9q) | Zinc finger region of MBD1 in complex with CpG DNA | Descriptor: | Methyl-CpG-binding domain protein 1, UNKNOWN ATOM OR ION, ZINC ION, ... | Authors: | Liu, K, Xu, C, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-23 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants. Structure, 26, 2018
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1CN7
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![BU of 1cn7 by Molmil](/molmil-images/mine/1cn7) | Yeast ribosomal protein L30 | Descriptor: | 60S RIBOSOMAL PROTEIN L30E | Authors: | Mao, H, Willamson, J.R. | Deposit date: | 1999-05-26 | Release date: | 1999-10-14 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Local folding coupled to RNA binding in the yeast ribosomal protein L30. J.Mol.Biol., 292, 1999
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6Q40
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![BU of 6q40 by Molmil](/molmil-images/mine/6q40) | A secreted LysM effector of the wheat pathogen Zymoseptoria tritici protects the fungal hyphae against chitinase hydrolysis through ligand-dependent polymerisation of LysM homodimers | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, LysM domain-containing protein | Authors: | Mesters, J.R, Saleem-Batcha, R, Sanchez-Vallet, A, Thomma, B.P.H.J. | Deposit date: | 2018-12-05 | Release date: | 2019-10-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.412 Å) | Cite: | A secreted LysM effector protects fungal hyphae through chitin-dependent homodimer polymerization. Plos Pathog., 16, 2020
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5W9S
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![BU of 5w9s by Molmil](/molmil-images/mine/5w9s) | Zinc finger of human CXXC5 in complex with CpG DNA | Descriptor: | CXXC-type zinc finger protein 5, CpG DNA fragment, SULFATE ION, ... | Authors: | Liu, K, Xu, C, Tempel, W, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-23 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants. Structure, 26, 2018
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2NSQ
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![BU of 2nsq by Molmil](/molmil-images/mine/2nsq) | Crystal structure of the C2 domain of the human E3 ubiquitin-protein ligase NEDD4-like protein | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase NEDD4-like protein, GLYCEROL | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2006-11-06 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The C2 domain of the human E3 ubiquitin-protein ligase NEDD4-like protein To be Published
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1YPN
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![BU of 1ypn by Molmil](/molmil-images/mine/1ypn) | REDUCED FORM HYDROXYMETHYLBILANE SYNTHASE (K59Q MUTANT) CRYSTAL STRUCTURE AFTER 2 HOURS IN A FLOW CELL DETERMINED BY TIME-RESOLVED LAUE DIFFRACTION | Descriptor: | 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, HYDROXYMETHYLBILANE SYNTHASE | Authors: | Helliwell, J.R, Nieh, Y.P, Raftery, J, Cassetta, A, Habash, J, Carr, P.D, Ursby, T, Wulff, M, Thompson, A.W, Niemann, A.C, Haedener, A. | Deposit date: | 1998-06-26 | Release date: | 1999-03-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Time-Resolved Structures of Hydroxymethylbilane Synthase (Lys59Gln Mutant) as It Isloaded with Substrate in the Crystal Determined by Laue Diffraction J.Chem.Soc.,Faraday Trans., 94, 1998
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