7L7N
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![BU of 7l7n by Molmil](/molmil-images/mine/7l7n) | Crystal structure of HCV NS3/4A D168A protease in complex with NR02-59 | Descriptor: | 1,2-ETHANEDIOL, 1-(trifluoromethyl)cyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, NS3 protease, ... | Authors: | Zephyr, J, Schiffer, C.A. | Deposit date: | 2020-12-29 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants. J.Med.Chem., 64, 2021
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7L7L
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![BU of 7l7l by Molmil](/molmil-images/mine/7l7l) | Crystal structure of HCV NS3/4A D168A protease in complex with NR01-129 | Descriptor: | 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, 1,2-ETHANEDIOL, NS3/4A protease, ... | Authors: | Zephyr, J, Schiffer, C.A. | Deposit date: | 2020-12-29 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants. J.Med.Chem., 64, 2021
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5W7Y
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7QGL
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![BU of 7qgl by Molmil](/molmil-images/mine/7qgl) | |
7QGA
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![BU of 7qga by Molmil](/molmil-images/mine/7qga) | |
7KFM
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![BU of 7kfm by Molmil](/molmil-images/mine/7kfm) | Room temperature oxyferrous Dehaloperoxidase B | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, Dehaloperoxidase B, OXYGEN MOLECULE, ... | Authors: | Carey, L.M, Ghiladi, R.A. | Deposit date: | 2020-10-14 | Release date: | 2021-10-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature. Iucrj, 9, 2022
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7SSI
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![BU of 7ssi by Molmil](/molmil-images/mine/7ssi) | |
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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5IKU
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![BU of 5iku by Molmil](/molmil-images/mine/5iku) | Crystal structure of the Hathewaya histolytica ColG tandem collagen-binding domain s3as3b in the presence of calcium at 1.9 Angstrom resolution | Descriptor: | CALCIUM ION, Collagenase | Authors: | Janowska, K, Bauer, R, Roeser, R, Sakon, J, Matsushita, O. | Deposit date: | 2016-03-03 | Release date: | 2017-03-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ca2+-induced orientation of tandem collagen binding domains from clostridial collagenase ColG permits two opposing functions of collagen fibril formation and retardation. Febs J., 285, 2018
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7QDN
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5Y2H
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5YO1
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![BU of 5yo1 by Molmil](/molmil-images/mine/5yo1) | Structure of ePepN E298A mutant in complex with Puromycin | Descriptor: | Aminopeptidase N, GLYCEROL, PUROMYCIN, ... | Authors: | Ganji, R.J, Reddi, R, Marapaka, A.K, Addlagatta, A. | Deposit date: | 2017-10-26 | Release date: | 2018-11-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Puromycin, a selective inhibitor of PSA acts as a substrate for other M1 family aminopeptidases: Biochemical and structural basis Int.J.Biol.Macromol., 165, 2020
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5Y4N
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![BU of 5y4n by Molmil](/molmil-images/mine/5y4n) | Crystal structure of aerobically purified and anaerobically crystallized D. vulgaris Miyazaki F [NiFe]-hydrogenase | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Nishikawa, K, Mochida, S, Hiromoto, T, Shibata, N, Higuchi, Y. | Deposit date: | 2017-08-04 | Release date: | 2018-08-08 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Ni-elimination from the active site of the standard [NiFe]‐hydrogenase upon oxidation by O2. J.Inorg.Biochem., 177, 2017
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5YR0
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![BU of 5yr0 by Molmil](/molmil-images/mine/5yr0) | Structure of Beclin1-UVRAG coiled coil domain complex | Descriptor: | Beclin-1, UV radiation resistance associated protein | Authors: | Pan, X, Zhao, Y, He, Y. | Deposit date: | 2017-11-08 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Targeting the potent Beclin 1-UVRAG coiled-coil interaction with designed peptides enhances autophagy and endolysosomal trafficking. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5YR6
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![BU of 5yr6 by Molmil](/molmil-images/mine/5yr6) | Human methionine aminopeptidase type 1b (F309L mutant) in complex with TNP470 | Descriptor: | (1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate, COBALT (II) ION, Methionine aminopeptidase 1, ... | Authors: | Pillalamarri, V, Arya, T, Addlagatta, A. | Deposit date: | 2017-11-08 | Release date: | 2018-11-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of natural product ovalicin sensitive type 1 methionine aminopeptidases: molecular and structural basis. Biochem. J., 476, 2019
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7L72
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![BU of 7l72 by Molmil](/molmil-images/mine/7l72) | Crystal structure of the second bromodomain (BD2) of human BRD3 bound to Ro3280 | Descriptor: | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 3 | Authors: | Karim, M.R, Bikowitz, M, Schonbrunn, E. | Deposit date: | 2020-12-25 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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1YP1
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![BU of 1yp1 by Molmil](/molmil-images/mine/1yp1) | Crystal structure of a non-hemorrhagic fibrin(ogen)olytic metalloproteinase from venom of Agkistrodon acutus | Descriptor: | FII, KNL, ZINC ION | Authors: | Lou, Z, Hou, J, Chen, J, Liang, X, Qiu, P, Liu, Y, Li, M, Rao, Z. | Deposit date: | 2005-01-28 | Release date: | 2006-01-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a non-hemorrhagic fibrin(ogen)olytic metalloproteinase complexed with a novel natural tri-peptide inhibitor from venom of Agkistrodon acutus J.Struct.Biol., 152, 2005
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5Y19
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![BU of 5y19 by Molmil](/molmil-images/mine/5y19) | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)- N-hydroxy-4-methylpentanamide. | Descriptor: | (2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]amino]-4-methyl-N-oxidanyl-pentanamide, GLYCEROL, M1 family aminopeptidase, ... | Authors: | Marapaka, A.K, Zhang, Y, Addlagatta, A. | Deposit date: | 2017-07-19 | Release date: | 2018-08-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)- N-hydroxy-4-methylpentanamide. To Be Published
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7T5C
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1YNS
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![BU of 1yns by Molmil](/molmil-images/mine/1yns) | Crystal Structure Of Human Enolase-phosphatase E1 and its complex with a substrate analog | Descriptor: | 2-OXOHEPTYLPHOSPHONIC ACID, E-1 enzyme, MAGNESIUM ION | Authors: | Wang, H, Pang, H, Bartlam, M, Rao, Z. | Deposit date: | 2005-01-25 | Release date: | 2005-05-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of human e1 enzyme and its complex with a substrate analog reveals the mechanism of its phosphatase/enolase J.Mol.Biol., 348, 2005
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7T5E
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![BU of 7t5e by Molmil](/molmil-images/mine/7t5e) | |
7SU8
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![BU of 7su8 by Molmil](/molmil-images/mine/7su8) | |
7SU6
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![BU of 7su6 by Molmil](/molmil-images/mine/7su6) | DIHYDRONEOPTERIN ALDOLASE (DHNA) Lys98Ala FROM YERSINIA PESTIS CO-CRYSTALLIZED with 7,8-dihydroneopterin | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, 7,8-dihydroneopterin aldolase | Authors: | Bourne, C.R. | Deposit date: | 2021-11-16 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | DIHYDRONEOPTERIN ALDOLASE (DHNA) Lys98Ala FROM YERSINIA PESTIS CO-CRYSTALLIZED with 7,8-dihydroneopterin To Be Published
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7SU4
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![BU of 7su4 by Molmil](/molmil-images/mine/7su4) | Dihydroneopterin aldolase (DHNA) Tyr53Phe from Yersinia pestis co-crystallized with 7,8-dihydroneopterin | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, 7,8-dihydroneopterin aldolase, ... | Authors: | Bourne, C.R. | Deposit date: | 2021-11-16 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Dihydroneopterin aldolase (DHNA) Tyr53Phe from Yersinia pestis co-crystallized with 7,8-dihydroneopterin To Be Published
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7SU7
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