5Y5H
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![BU of 5y5h by Molmil](/molmil-images/mine/5y5h) | SF-ROX structure of cytochrome P450nor (NO-bound state) determined at SACLA | Descriptor: | GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ... | Authors: | Tosha, T, Nomura, T, Nishida, T, Yamagiwa, R, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Yamashita, A, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Sugimoto, H, Shiro, Y, Kubo, M. | Deposit date: | 2017-08-09 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate. Nat Commun, 8, 2017
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4MU8
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![BU of 4mu8 by Molmil](/molmil-images/mine/4mu8) | Crystal structure of an oxidized form of yeast iso-1-cytochrome c at pH 8.8 | Descriptor: | Cytochrome c iso-1, GLYCEROL, HEME C, ... | Authors: | McClelland, L.J, Mou, T.-C, Jeakins-Cooley, M.E, Sprang, S.R, Bowler, B.E. | Deposit date: | 2013-09-20 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of a mitochondrial cytochrome c conformer competent for peroxidase activity. Proc.Natl.Acad.Sci.USA, 111, 2014
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6BVH
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![BU of 6bvh by Molmil](/molmil-images/mine/6bvh) | Trypsin complexed with a modified sunflower trypsin inhibitor, SFTI-TCTR(N12,N14) | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Riley, B.T, Chen, X. | Deposit date: | 2017-12-13 | Release date: | 2018-12-19 | Last modified: | 2019-01-30 | Method: | X-RAY DIFFRACTION (1.927 Å) | Cite: | Potent, multi-target serine protease inhibition achieved by a simplified beta-sheet motif. PLoS ONE, 14, 2019
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6ISE
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![BU of 6ise by Molmil](/molmil-images/mine/6ise) | Crystal structure of AMPPNP bound CK2 alpha from C. neoformans | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Cho, H.S. | Deposit date: | 2018-11-16 | Release date: | 2019-11-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of AMPPNP bound CK2 alpha from C. neoformans To be published
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5U6U
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![BU of 5u6u by Molmil](/molmil-images/mine/5u6u) | The crystal structure of 4-ethylthiobenzoate-bound CYP199A4 | Descriptor: | 4-(ethylsulfanyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Coleman, T, Bruning, J.B, Bell, S.G. | Deposit date: | 2016-12-08 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.786 Å) | Cite: | Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation Acs Catalysis, 8, 2018
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6BWP
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![BU of 6bwp by Molmil](/molmil-images/mine/6bwp) | Crystal structure of Deoxy Hemoglobin in complex with beta Cys93 modifying agent, TD3 | Descriptor: | 1H-1,2,3-triazole-5-thiol, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Musayev, F.N, Safo, R.M, Safo, M.K. | Deposit date: | 2017-12-15 | Release date: | 2018-01-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A Triazole Disulfide Compound Increases the Affinity of Hemoglobin for Oxygen and Reduces the Sickling of Human Sickle Cells. Mol. Pharm., 15, 2018
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7KL0
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![BU of 7kl0 by Molmil](/molmil-images/mine/7kl0) | Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D) | Descriptor: | 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, ... | Authors: | Ozden, C, Stratton, M.M, Garman, S.C. | Deposit date: | 2020-10-28 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
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6BWW
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7BDZ
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![BU of 7bdz by Molmil](/molmil-images/mine/7bdz) | X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (1) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | Authors: | Loreto, D, Merlino, A, Ferraro, G. | Deposit date: | 2020-12-22 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme. Int J Mol Sci, 22, 2021
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6IRJ
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![BU of 6irj by Molmil](/molmil-images/mine/6irj) | |
4N6L
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![BU of 4n6l by Molmil](/molmil-images/mine/4n6l) | Crystal structure of human cystatin E/M | Descriptor: | Cystatin-M | Authors: | Dall, E, Brandstetter, H. | Deposit date: | 2013-10-14 | Release date: | 2015-02-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | Structure and mechanism of an aspartimide-dependent Peptide ligase in human legumain. Angew.Chem.Int.Ed.Engl., 54, 2015
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7BEC
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![BU of 7bec by Molmil](/molmil-images/mine/7bec) | Unusual structural features in the adduct of dirhodium tetraacetate with lysozyme (5) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | Authors: | Loreto, D, Ferraro, G, Merlino, A. | Deposit date: | 2020-12-23 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme. Int J Mol Sci, 22, 2021
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7BEB
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![BU of 7beb by Molmil](/molmil-images/mine/7beb) | Unusual structural features in the adduct of dirhodium tetraacetate with lysozyme (4) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | Authors: | Loreto, D, Ferraro, G, Merlino, A. | Deposit date: | 2020-12-23 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme. Int J Mol Sci, 22, 2021
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7KP5
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![BU of 7kp5 by Molmil](/molmil-images/mine/7kp5) | |
7BE2
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![BU of 7be2 by Molmil](/molmil-images/mine/7be2) | X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (6) | Descriptor: | ACETATE ION, GLYCEROL, Lysozyme, ... | Authors: | Loreto, D, Merlino, A, Ferraro, G. | Deposit date: | 2020-12-22 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme. Int J Mol Sci, 22, 2021
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7B9L
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![BU of 7b9l by Molmil](/molmil-images/mine/7b9l) | MEK1 in complex with compound 23 | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1, GLYCEROL, MAGNESIUM ION, ... | Authors: | Kack, H, Oster, L. | Deposit date: | 2020-12-14 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fragment-Based Discovery of Novel Allosteric MEK1 Binders. Acs Med.Chem.Lett., 12, 2021
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7BE1
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![BU of 7be1 by Molmil](/molmil-images/mine/7be1) | X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (3) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | Authors: | Loreto, D, Merlino, A, Ferraro, G. | Deposit date: | 2020-12-22 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme. Int J Mol Sci, 22, 2021
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7BE0
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![BU of 7be0 by Molmil](/molmil-images/mine/7be0) | X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (2) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | Authors: | Loreto, D, Merlino, A, Ferraro, G. | Deposit date: | 2020-12-22 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme. Int J Mol Sci, 22, 2021
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7KVO
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![BU of 7kvo by Molmil](/molmil-images/mine/7kvo) | Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Sevrioukova, I. | Deposit date: | 2020-11-28 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
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6C8X
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![BU of 6c8x by Molmil](/molmil-images/mine/6c8x) | Wild-type HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | Authors: | Windsor, I.W, Raines, R.T, Forest, K.T. | Deposit date: | 2018-01-25 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.613 Å) | Cite: | Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid. J. Am. Chem. Soc., 140, 2018
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6IHX
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![BU of 6ihx by Molmil](/molmil-images/mine/6ihx) | Crystal Structure Analysis of bovine Hemoglobin modified by SNP | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Kihira, K, Morita, Y, Yamada, T, Kureishi, M, Komatsu, T. | Deposit date: | 2018-10-03 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Quaternary Structure Analysis of a Hemoglobin Core in Hemoglobin-Albumin Cluster. J Phys Chem B, 122, 2018
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7BDQ
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![BU of 7bdq by Molmil](/molmil-images/mine/7bdq) | MAPK14 bound with SR300 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ... | Authors: | Schroeder, M, Roehm, S, Joerger, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-22 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe. J.Med.Chem., 64, 2021
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7BE4
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![BU of 7be4 by Molmil](/molmil-images/mine/7be4) | Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR159 | Descriptor: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-22 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe. J.Med.Chem., 64, 2021
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4NA8
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![BU of 4na8 by Molmil](/molmil-images/mine/4na8) | Factor XIa in complex with the inhibitor 5-aminocarbonyl-2-[3-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1h-quinolin-2-yl]phenyl]benzoic acid | Descriptor: | 1,2-ETHANEDIOL, 5-aminocarbonyl-2-[3-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl]phenyl]benzoic acid, Coagulation factor XI, ... | Authors: | Wei, A. | Deposit date: | 2013-10-21 | Release date: | 2014-02-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Tetrahydroquinoline Derivatives as Potent and Selective Factor XIa Inhibitors. J.Med.Chem., 57, 2014
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6BR7
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![BU of 6br7 by Molmil](/molmil-images/mine/6br7) | |