4TU4
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![BU of 4tu4 by Molmil](/molmil-images/mine/4tu4) | Crystal structure of ATAD2A bromodomain complexed with 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoicacid | Descriptor: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ... | Authors: | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | Deposit date: | 2014-06-23 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2. Biochem.J., 466, 2015
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4UZV
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![BU of 4uzv by Molmil](/molmil-images/mine/4uzv) | Structure of a triple mutant of ASV-TfTrHb | Descriptor: | ACETATE ION, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Baiocco, P, Bonamore, A, Sciamanna, N, Ilari, A, Boechi, L, Boffi, A, Smulevich, G, Feis, A. | Deposit date: | 2014-09-09 | Release date: | 2014-09-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Role of Local Structure and Dynamics of Small Ligand Migration in Proteins: A Study of a Mutated Truncated Hemoprotein from Thermobifida Fusca by Time Resolved Mir Spectroscopy. J.Phys.Chem.B, 118, 2014
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5HDB
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![BU of 5hdb by Molmil](/molmil-images/mine/5hdb) | Integrin alphaIIbbeta3 in complex with Ro-435054 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Lin, F.Y. | Deposit date: | 2016-01-05 | Release date: | 2016-02-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7012 Å) | Cite: | beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece. J.Biol.Chem., 291, 2016
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4TT6
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![BU of 4tt6 by Molmil](/molmil-images/mine/4tt6) | Crystal structure of ATAD2A bromodomain double mutant N1063A-Y1064A in apo form | Descriptor: | ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ... | Authors: | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | Deposit date: | 2014-06-19 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2. Biochem.J., 466, 2015
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4TTE
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![BU of 4tte by Molmil](/molmil-images/mine/4tte) | Crystal structure of ATAD2A bromodomain complexed with methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate | Descriptor: | ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ... | Authors: | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | Deposit date: | 2014-06-20 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2. Biochem.J., 466, 2015
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5ILE
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![BU of 5ile by Molmil](/molmil-images/mine/5ile) | H64A sperm whale myoglobin with a Fe-tolyl moiety | Descriptor: | Myoglobin, SULFATE ION, [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)](3-methylphenyl)iron | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2016-03-03 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations. J. Inorg. Biochem., 164, 2016
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5ILP
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![BU of 5ilp by Molmil](/molmil-images/mine/5ilp) | H64Q sperm whale myoglobin with a Fe-tolyl moiety | Descriptor: | GLYCEROL, Myoglobin, SULFATE ION, ... | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2016-03-04 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations. J. Inorg. Biochem., 164, 2016
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5IKS
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![BU of 5iks by Molmil](/molmil-images/mine/5iks) | Wild-type sperm whale myoglobin with a Fe-phenyl moiety | Descriptor: | GLYCEROL, Myoglobin, SULFATE ION, ... | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2016-03-03 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations. J. Inorg. Biochem., 164, 2016
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8KFX
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![BU of 8kfx by Molmil](/molmil-images/mine/8kfx) | Gi bound CCR8 complex with nonpeptide agonist LMD-009 | Descriptor: | 8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one, C-C chemokine receptor type 8,Fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Jiang, S, Lin, X, Wu, L.J, Xu, F. | Deposit date: | 2023-08-16 | Release date: | 2024-02-07 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | Unveiling the structural mechanisms of nonpeptide ligand recognition and activation in human chemokine receptor CCR8. Sci Adv, 10, 2024
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8KFY
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![BU of 8kfy by Molmil](/molmil-images/mine/8kfy) | Gi bound CCR8 complex with nonpeptide agonist ZK 756326 | Descriptor: | 2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol, C-C chemokine receptor type 8,Fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Jiang, S, Lin, X, Wu, L.J, Xu, F. | Deposit date: | 2023-08-16 | Release date: | 2024-02-07 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Unveiling the structural mechanisms of nonpeptide ligand recognition and activation in human chemokine receptor CCR8. Sci Adv, 10, 2024
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2P7G
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![BU of 2p7g by Molmil](/molmil-images/mine/2p7g) | X-ray Structure of Estrogen Related Receptor g in complex with Bisphenol A. | Descriptor: | 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen-related receptor gamma, SODIUM ION | Authors: | Abad, M.C. | Deposit date: | 2007-03-20 | Release date: | 2008-02-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural determination of estrogen-related receptor gamma in the presence of phenol derivative compounds. J.Steroid Biochem.Mol.Biol., 108, 2008
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6BD4
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![BU of 6bd4 by Molmil](/molmil-images/mine/6bd4) | Crystal structure of human apo-Frizzled4 receptor | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Frizzled-4/Rubredoxin chimeric protein, OLEIC ACID, ... | Authors: | Yang, S, Wu, Y, Pu, M, Chen, Y, Dong, S, Guo, Y, Han, G.Y, Stevens, R.C, Zhao, S, Xu, F. | Deposit date: | 2017-10-21 | Release date: | 2018-08-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the Frizzled 4 receptor in a ligand-free state. Nature, 560, 2018
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2IRU
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![BU of 2iru by Molmil](/molmil-images/mine/2iru) | |
6EXY
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![BU of 6exy by Molmil](/molmil-images/mine/6exy) | Neutron crystal structure of perdeuterated galectin-3C in complex with glycerol | Descriptor: | GLYCEROL, Galectin-3 | Authors: | Manzoni, F, Schrader, T.E, Ostermann, A, Oksanen, E, Logan, D.T. | Deposit date: | 2017-11-10 | Release date: | 2018-09-12 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION | Cite: | Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design. J. Med. Chem., 61, 2018
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1HKL
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![BU of 1hkl by Molmil](/molmil-images/mine/1hkl) | FREE AND LIGANDED FORM OF AN ESTEROLYTIC CATALYTIC ANTIBODY | Descriptor: | 48G7 FAB | Authors: | Wedemayer, G.J, Wang, L.H, Patten, P.A, Schultz, P.G, Stevens, R.C. | Deposit date: | 1996-12-20 | Release date: | 1997-03-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Crystal structures of the free and liganded form of an esterolytic catalytic antibody. J.Mol.Biol., 268, 1997
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2P7A
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![BU of 2p7a by Molmil](/molmil-images/mine/2p7a) | |
5ILM
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![BU of 5ilm by Molmil](/molmil-images/mine/5ilm) | H64A sperm whale myoglobin with a Fe-chlorophenyl moiety | Descriptor: | (4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron, GLYCEROL, Myoglobin, ... | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2016-03-04 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations. J. Inorg. Biochem., 164, 2016
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5ILR
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![BU of 5ilr by Molmil](/molmil-images/mine/5ilr) | H64Q sperm whale myoglobin with a Fe-chlorophenyl moiety | Descriptor: | (4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron, GLYCEROL, Myoglobin, ... | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2016-03-04 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations. J. Inorg. Biochem., 164, 2016
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1N86
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![BU of 1n86 by Molmil](/molmil-images/mine/1n86) | Crystal structure of human D-dimer from cross-linked fibrin complexed with GPR and GHRPLDK peptide ligands. | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, CALCIUM ION, Fibrin alpha/alpha-E chain, ... | Authors: | Yang, Z, Pandi, L, Doolittle, R.F. | Deposit date: | 2002-11-19 | Release date: | 2003-01-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The crystal structure of fragment double-D from cross-linked lamprey fibrin reveals isopeptide linkages across an unexpected D-D interface. Biochemistry, 41, 2002
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8SX6
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![BU of 8sx6 by Molmil](/molmil-images/mine/8sx6) | RNA duplex bound with GMP and AMP monomers | Descriptor: | ADENOSINE MONOPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zhang, W, Dantsu, Y. | Deposit date: | 2023-05-19 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand. Rsc Chem Biol, 4, 2023
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8SX5
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![BU of 8sx5 by Molmil](/molmil-images/mine/8sx5) | GpppA dinucleotide binding to RNA CU template | Descriptor: | GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, RNA (5'-R(*(TLN)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G*(GA3))-3') | Authors: | Zhang, W, Dantsu, Y. | Deposit date: | 2023-05-19 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand. Rsc Chem Biol, 4, 2023
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8SXL
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![BU of 8sxl by Molmil](/molmil-images/mine/8sxl) | RNA UU template binding to AMP monomer | Descriptor: | ADENOSINE MONOPHOSPHATE, RNA (5'-R(*(TLN)P*(TLN)P*(LCA)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*U)-3') | Authors: | Zhang, W, Dantsu, Y. | Deposit date: | 2023-05-22 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand. Rsc Chem Biol, 4, 2023
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8SY1
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![BU of 8sy1 by Molmil](/molmil-images/mine/8sy1) | RNA duplex bound with imidazolium bridged GA dinucleotide | Descriptor: | RNA (5'-R(*(TLN)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G*(GMA))-3'), [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[2-azanyl-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-1-yl]phosphinic acid | Authors: | Zhang, W, Dantsu, Y. | Deposit date: | 2023-05-24 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand. Rsc Chem Biol, 4, 2023
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6EYM
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![BU of 6eym by Molmil](/molmil-images/mine/6eym) | Neutron crystal structure of perdeuterated galectin-3C in complex with lactose | Descriptor: | Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Manzoni, F, Coates, L, Blakeley, M.P, Oksanen, E, Logan, D.T. | Deposit date: | 2017-11-13 | Release date: | 2018-09-12 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | Cite: | Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design. J. Med. Chem., 61, 2018
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5JS3
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![BU of 5js3 by Molmil](/molmil-images/mine/5js3) | Thermolysin in complex with JC114. | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | Deposit date: | 2016-05-07 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands. J. Med. Chem., 59, 2016
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