4B66
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![BU of 4b66 by Molmil](/molmil-images/mine/4b66) | A. fumigatus ornithine hydroxylase (SidA), reduced state bound to NADP and Arg | Descriptor: | ARGININE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Franceschini, S, Fedkenheuer, M, Vogelaar, N.J, Robinson, H.H, Sobrado, P, Mattevi, A. | Deposit date: | 2012-08-09 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Insight Into the Mechanism of Oxygen Activation and Substrate Selectivity of Flavin-Dependent N-Hydroxylating Monooxygenases. Biochemistry, 51, 2012
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6F2L
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5YTU
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1DLO
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![BU of 1dlo by Molmil](/molmil-images/mine/1dlo) | HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 | Descriptor: | HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE | Authors: | Hsiou, Y, Ding, J, Das, K, Hughes, S, Arnold, E. | Deposit date: | 1996-04-17 | Release date: | 1996-08-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of unliganded HIV-1 reverse transcriptase at 2.7 A resolution: implications of conformational changes for polymerization and inhibition mechanisms. Structure, 4, 1996
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6P5P
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![BU of 6p5p by Molmil](/molmil-images/mine/6p5p) | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Anti-Tumor Agent | Descriptor: | 2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one, Rho-associated protein kinase 2 | Authors: | Hoffman, I.D, Skene, R.J. | Deposit date: | 2019-05-30 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 Inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Antitumor Agent. J.Med.Chem., 63, 2020
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6P5M
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![BU of 6p5m by Molmil](/molmil-images/mine/6p5m) | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Anti-Tumor Agent | Descriptor: | 6-(5-methyl-1H-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one, Rho-associated protein kinase 2 | Authors: | Hoffman, I.D, Skene, R.J. | Deposit date: | 2019-05-30 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 Inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Antitumor Agent. J.Med.Chem., 63, 2020
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5K3M
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6CA8
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3PI3
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![BU of 3pi3 by Molmil](/molmil-images/mine/3pi3) | Crystallographic Structure of HbII-oxy from Lucina pectinata at pH 5.0 | Descriptor: | Hemoglobin II, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Gavira, J.A, Nieves-Marrero, C.A, Ruiz-Martinez, C.R, Estremera-Andujar, R.A, Lopez-Garriga, J, Garcia-Ruiz, J.M. | Deposit date: | 2010-11-05 | Release date: | 2011-11-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | pH-dependence crystallographic studies of the oxygen carrier hemoglobin II from Lucina pectinata To be Published
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6PIP
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5YT4
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![BU of 5yt4 by Molmil](/molmil-images/mine/5yt4) | Galectin-10 variant H53A soaked in glycerol for 5 minutes | Descriptor: | GLYCEROL, Galectin-10 | Authors: | Su, J. | Deposit date: | 2017-11-16 | Release date: | 2018-01-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding. Glycobiology, 28, 2018
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5YUL
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![BU of 5yul by Molmil](/molmil-images/mine/5yul) | Native Structure of hSOD1 in P6322 space group | Descriptor: | Dihydrogen tetrasulfide, GLYCEROL, Superoxide dismutase [Cu-Zn], ... | Authors: | Manjula, R, Padmanabhan, B. | Deposit date: | 2017-11-22 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Assessment of ligand binding at a site relevant to SOD1 oxidation and aggregation FEBS Lett., 592, 2018
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7SXP
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2A26
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![BU of 2a26 by Molmil](/molmil-images/mine/2a26) | Crystal structure of the N-terminal, dimerization domain of Siah Interacting Protein | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Calcyclin-binding protein, SULFATE ION | Authors: | Santelli, E, Leone, M, Li, C, Fukushima, T, Preece, N.E, Olson, A.J, Ely, K.R, Reed, J.C, Pellecchia, M, Liddington, R.C, Matsuzawa, S. | Deposit date: | 2005-06-21 | Release date: | 2005-08-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural Analysis of Siah1-Siah-interacting Protein Interactions and Insights into the Assembly of an E3 Ligase Multiprotein Complex J.Biol.Chem., 280, 2005
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2VHA
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![BU of 2vha by Molmil](/molmil-images/mine/2vha) | DEBP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLUTAMIC ACID, PERIPLASMIC BINDING TRANSPORT PROTEIN | Authors: | Hu, Y.L, Fan, C.-P, Fu, G.S, Zhu, D.Y, Jin, Q, Wang, D.-C. | Deposit date: | 2007-11-20 | Release date: | 2008-07-08 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Crystal Structure of a Glutamate/Aspartate Binding Protein Complexed with a Glutamate Molecule: Structural Basis of Ligand Specificity at Atomic Resolution. J.Mol.Biol., 382, 2008
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6KAE
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![BU of 6kae by Molmil](/molmil-images/mine/6kae) | Crosslinked alpha(Fe-CO)-beta(Ni) human hemoglobin A in the T quaternary structure at 95 K: Light | Descriptor: | BUT-2-ENEDIAL, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-06-21 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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6KAO
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![BU of 6kao by Molmil](/molmil-images/mine/6kao) | Carbonmonoxy human hemoglobin C in the R quaternary structure at 95 K: Dark | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-06-23 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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6KAR
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![BU of 6kar by Molmil](/molmil-images/mine/6kar) | Carbonmonoxy human hemoglobin C in the R quaternary structure at 140 K: Light | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-06-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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6PI3
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6KAH
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![BU of 6kah by Molmil](/molmil-images/mine/6kah) | Crosslinked alpha(Ni)-beta(Fe-CO) human hemoglobin A in the T quaternary structure at 95 K: Dark | Descriptor: | BUT-2-ENEDIAL, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-06-23 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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6KAQ
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![BU of 6kaq by Molmil](/molmil-images/mine/6kaq) | Carbonmonoxy human hemoglobin C in the R quaternary structure at 140 K: Dark | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-06-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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6KAU
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![BU of 6kau by Molmil](/molmil-images/mine/6kau) | Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 140 K: Dark | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-06-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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5K6E
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5YXJ
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![BU of 5yxj by Molmil](/molmil-images/mine/5yxj) | FXR ligand binding domain | Descriptor: | 2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | Authors: | Yi, L, Yong, L. | Deposit date: | 2017-12-05 | Release date: | 2019-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | A ligand of drug binding to FXR To Be Published
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6W6Y
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![BU of 6w6y by Molmil](/molmil-images/mine/6w6y) | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in complex with AMP | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Non-structural protein 3 | Authors: | Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-03-18 | Release date: | 2020-03-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes. Iucrj, 7, 2020
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