6B90
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![BU of 6b90 by Molmil](/molmil-images/mine/6b90) | Multiconformer model of apo WT PTP1B with glycerol at 100 K (ALTERNATIVE REFINEMENT OF PDB 1SUG showing conformational heterogeneity) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | Deposit date: | 2017-10-09 | Release date: | 2018-06-20 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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5PW8
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![BU of 5pw8 by Molmil](/molmil-images/mine/5pw8) | PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 259) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2017-02-07 | Release date: | 2017-03-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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5PWQ
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![BU of 5pwq by Molmil](/molmil-images/mine/5pwq) | PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 14) | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2017-02-08 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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5PX7
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![BU of 5px7 by Molmil](/molmil-images/mine/5px7) | PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 31) | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2017-02-08 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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1EE3
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![BU of 1ee3 by Molmil](/molmil-images/mine/1ee3) | Cadmium-substituted bovine pancreatic carboxypeptidase A (alfa-form) at pH 7.5 and 2 mM chloride in monoclinic crystal form | Descriptor: | CADMIUM ION, PROTEIN (CARBOXYPEPTIDASE A) | Authors: | Jensen, F, Bukrinsky, T, Bjerrum, J, Larsen, S. | Deposit date: | 2000-01-30 | Release date: | 2002-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Three high-resolution crystal structures of cadmium-substituted carboxypeptidase A provide insight into the enzymatic function J.BIOL.INORG.CHEM., 7, 2002
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5PXN
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![BU of 5pxn by Molmil](/molmil-images/mine/5pxn) | PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 47) | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2017-02-08 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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5PY4
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![BU of 5py4 by Molmil](/molmil-images/mine/5py4) | PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 64) | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2017-02-08 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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5PYM
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![BU of 5pym by Molmil](/molmil-images/mine/5pym) | PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 82) | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2017-02-08 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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3DNN
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![BU of 3dnn by Molmil](/molmil-images/mine/3dnn) | Molecular structure for the HIV-1 gp120 trimer in the unliganded state | Descriptor: | HIV-1 envelope glycoprotein gp120 | Authors: | Borgnia, M.J, Liu, J, Bartesaghi, A, Sapiro, G, Subramaniam, S. | Deposit date: | 2008-07-02 | Release date: | 2008-08-19 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (20 Å) | Cite: | Molecular architecture of native HIV-1 gp120 trimers. Nature, 455, 2008
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5PZ0
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![BU of 5pz0 by Molmil](/molmil-images/mine/5pz0) | PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 96) | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2017-02-08 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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5PZG
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![BU of 5pzg by Molmil](/molmil-images/mine/5pzg) | PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 112) | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2017-02-08 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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3DOI
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![BU of 3doi by Molmil](/molmil-images/mine/3doi) | Crystal Structure of a Thermostable Esterase complex with paraoxon | Descriptor: | DIETHYL PHOSPHONATE, esterase | Authors: | Levisson, M, Sun, L, Hendriks, S, Dijkstra, B.W, Van der Oost, J, Kengen, S.W.M. | Deposit date: | 2008-07-04 | Release date: | 2009-02-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure and biochemical properties of a novel thermostable esterase containing an immunoglobulin-like domain. J.Mol.Biol., 385, 2009
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1ELL
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![BU of 1ell by Molmil](/molmil-images/mine/1ell) | CADMIUM-SUBSTITUTED BOVINE PANCREATIC CARBOXYPEPTIDASE A (ALFA-FORM) AT PH 7.5 AND 0.25 M CHLORIDE IN MONOCLINIC CRYSTAL FORM. | Descriptor: | CADMIUM ION, CARBOXYPEPTIDASE A | Authors: | Jensen, F, Bukrinsky, T, Bjerrum, J, Larsen, S. | Deposit date: | 2000-03-14 | Release date: | 2002-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Three high-resolution crystal structures of cadmium-substituted carboxypeptidase A provide insight into the enzymatic function J.BIOL.INORG.CHEM., 7, 2002
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6AO3
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![BU of 6ao3 by Molmil](/molmil-images/mine/6ao3) | |
3FEJ
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![BU of 3fej by Molmil](/molmil-images/mine/3fej) | Design and biological evaluation of novel, balanced dual PPARa/g agonists | Descriptor: | (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, Peroxisome proliferator-activated receptor gamma, peptide motif 3 of Nuclear receptor coactivator 1 | Authors: | Benz, J, Grether, U, Gsell, B, Binggeli, A, Hilpert, H, Kuhn, B, Maerki, H.P, Mohr, P, Ruf, A, Stihle, M. | Deposit date: | 2008-11-30 | Release date: | 2009-10-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists Chemmedchem, 4, 2009
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6FJ7
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![BU of 6fj7 by Molmil](/molmil-images/mine/6fj7) | |
6F1E
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![BU of 6f1e by Molmil](/molmil-images/mine/6f1e) | Crystal structure of olive flounder [Paralichthys olivaceus] interferon gamma at 2.3 Angstrom resolution | Descriptor: | Interferon gamma | Authors: | Kolenko, P, Kolarova, L, Zahradnik, J, Schneider, B. | Deposit date: | 2017-11-21 | Release date: | 2018-05-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.296 Å) | Cite: | Interferons type II and their receptors R1 and R2 in fish species: Evolution, structure, and function. Fish Shellfish Immunol., 79, 2018
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3FGG
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![BU of 3fgg by Molmil](/molmil-images/mine/3fgg) | Crystal Structure of Putative ECF-type Sigma Factor Negative Effector from Bacillus cereus | Descriptor: | GLYCEROL, ZINC ION, uncharacterized protein BCE2196 | Authors: | Kim, Y, Nocek, B, Maltseva, N, Joachimiak, G, Du, J, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-12-05 | Release date: | 2009-01-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Putative ECF-type Sigma Factor Negative Effector from Bacillus cereus To be Published
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6ARQ
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![BU of 6arq by Molmil](/molmil-images/mine/6arq) | Crystal structure of CD96 (D1) bound to CD155/necl-5 (D1-3) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Poliovirus receptor, T-cell surface protein tactile, ... | Authors: | Deuss, F.A, Watson, G.M, Rossjohn, J, Berry, R. | Deposit date: | 2017-08-23 | Release date: | 2018-11-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structural Basis for CD96 Immune Receptor Recognition of Nectin-like Protein-5, CD155. Structure, 27, 2019
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3FJ8
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![BU of 3fj8 by Molmil](/molmil-images/mine/3fj8) | |
6F56
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![BU of 6f56 by Molmil](/molmil-images/mine/6f56) | |
3FNV
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![BU of 3fnv by Molmil](/molmil-images/mine/3fnv) | Crystal Structure of Miner1: The Redox-active 2Fe-2S Protein Causative in Wolfram Syndrome 2 | Descriptor: | CDGSH iron sulfur domain-containing protein 2, FE2/S2 (INORGANIC) CLUSTER | Authors: | Conlan, A.R, Axelrod, H.L, Cohen, A.E, Abresch, E.C, Yee, D, Zuris, J, Nechushtai, R, Jennings, P.A, Paddock, M.L. | Deposit date: | 2008-12-26 | Release date: | 2009-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of Miner1: The redox-active 2Fe-2S protein causative in Wolfram Syndrome 2. J.Mol.Biol., 392, 2009
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3FOV
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![BU of 3fov by Molmil](/molmil-images/mine/3fov) | Crystal structure of protein RPA0323 of unknown function from Rhodopseudomonas palustris | Descriptor: | NITRATE ION, UPF0102 protein RPA0323 | Authors: | Osipiuk, J, Skarina, T, Kagan, O, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-01-02 | Release date: | 2009-01-13 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | X-ray crystal structure of protein RPA0323 of unknown function from Rhodopseudomonas palustris. To be Published
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6EUM
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![BU of 6eum by Molmil](/molmil-images/mine/6eum) | CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307 | Descriptor: | (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | Deposit date: | 2017-10-30 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
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5NE1
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![BU of 5ne1 by Molmil](/molmil-images/mine/5ne1) | L2 class A serine-beta-lactamase in complex with cyclic boronate 2 | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Beta-lactamase, TRIETHYLENE GLYCOL | Authors: | Hinchliffe, P, Calvopina, K, Spencer, J. | Deposit date: | 2017-03-09 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates. Mol. Microbiol., 106, 2017
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