4CEY
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![BU of 4cey by Molmil](/molmil-images/mine/4cey) | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor NLD | Descriptor: | 1-(2-aminopyridin-4-yl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one, SODIUM ION, VP1, ... | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2013-11-12 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules Nat.Struct.Mol.Biol., 21, 2014
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5ABJ
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![BU of 5abj by Molmil](/molmil-images/mine/5abj) | Structure of Coxsackievirus A16 in complex with GPP3 | Descriptor: | 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, CHLORIDE ION, SODIUM ION, ... | Authors: | De Colibus, L, Wang, X, Tijsma, A, Neyts, J, Spyrou, J.A.B, Ren, J, Grimes, J.M, Puerstinger, G, Leyssen, P, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2015-08-06 | Release date: | 2015-09-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure Elucidation of Coxsackievirus A16 in Complex with Gpp3 Informs a Systematic Review of Highly Potent Capsid Binders to Enteroviruses. Plos Pathog., 11, 2015
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7JXT
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![BU of 7jxt by Molmil](/molmil-images/mine/7jxt) | Ovine COX-1 in complex with the subtype-selective derivative 2a | Descriptor: | 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ko, Y, Iaselli, M, Miciaccia, M, Friedrich, L, Schneider, G, Scilimati, A, Cingolani, G. | Deposit date: | 2020-08-27 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Learning from Nature: From a Marine Natural Product to Synthetic Cyclooxygenase-1 Inhibitors by Automated De Novo Design. Adv Sci, 8, 2021
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1TUH
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![BU of 1tuh by Molmil](/molmil-images/mine/1tuh) | Structure of Bal32a from a Soil-Derived Mobile Gene Cassette | Descriptor: | ACETATE ION, hypothetical protein EGC068 | Authors: | Robinson, A, Wu, P.S.-C, Harrop, S.J, Schaeffer, P.M, Dixon, N.E, Gillings, M.R, Holmes, A.J, Nevalainen, K.M.H, Otting, G, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C. | Deposit date: | 2004-06-25 | Release date: | 2004-07-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Integron-associated Mobile Gene Cassettes Code for Folded Proteins: The Structure of Bal32a, a New Member of the Adaptable alpha+beta Barrel Family J.Mol.Biol., 346, 2005
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4KEE
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![BU of 4kee by Molmil](/molmil-images/mine/4kee) | |
4K6B
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![BU of 4k6b by Molmil](/molmil-images/mine/4k6b) | |
4KEF
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![BU of 4kef by Molmil](/molmil-images/mine/4kef) | |
4KED
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![BU of 4ked by Molmil](/molmil-images/mine/4ked) | |
4CDQ
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![BU of 4cdq by Molmil](/molmil-images/mine/4cdq) | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP2 | Descriptor: | 4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde O-ethyl oxime, SODIUM ION, VP1, ... | Authors: | DeColibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2013-11-05 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules Nat.Struct.Mol.Biol., 21, 2014
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4CEW
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![BU of 4cew by Molmil](/molmil-images/mine/4cew) | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor ALD | Descriptor: | 4-[3-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-2-oxidanylidene-imidazolidin-1-yl]pyridine-2-carboxamide, VP1, VP2, ... | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2013-11-12 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules. Nat.Struct.Mol.Biol., 21, 2014
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2HOA
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![BU of 2hoa by Molmil](/molmil-images/mine/2hoa) | STRUCTURE DETERMINATION OF THE ANTP(C39->S) HOMEODOMAIN FROM NUCLEAR MAGNETIC RESONANCE DATA IN SOLUTION USING A NOVEL STRATEGY FOR THE STRUCTURE CALCULATION WITH THE PROGRAMS DIANA, CALIBA, HABAS AND GLOMSA | Descriptor: | ANTENNAPEDIA PROTEIN | Authors: | Guntert, P, Qian, Y.-Q, Otting, G, Muller, M, Gehring, W.J, Wuthrich, K. | Deposit date: | 1992-04-04 | Release date: | 1993-10-31 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure determination of the Antp (C39----S) homeodomain from nuclear magnetic resonance data in solution using a novel strategy for the structure calculation with the programs DIANA, CALIBA, HABAS and GLOMSA. J.Mol.Biol., 217, 1991
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1UCP
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![BU of 1ucp by Molmil](/molmil-images/mine/1ucp) | NMR structure of the PYRIN domain of human ASC | Descriptor: | Apoptosis-associated speck-like protein containing a CARD | Authors: | Liepinsh, E, Barbals, R, Dahl, E, Sharipo, A, Staub, E, Otting, G. | Deposit date: | 2003-04-16 | Release date: | 2003-11-04 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | The death-domain fold of the ASC PYRIN domain, presenting a basis for PYRIN/PYRIN recognition J.Mol.Biol., 332, 2003
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3GRX
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![BU of 3grx by Molmil](/molmil-images/mine/3grx) | NMR STRUCTURE OF ESCHERICHIA COLI GLUTAREDOXIN 3-GLUTATHIONE MIXED DISULFIDE COMPLEX, 20 STRUCTURES | Descriptor: | GLUTAREDOXIN 3, GLUTATHIONE | Authors: | Nordstrand, K, Aslund, F, Holmgren, A, Otting, G, Berndt, K.D. | Deposit date: | 1998-08-17 | Release date: | 1999-03-30 | Last modified: | 2018-03-14 | Method: | SOLUTION NMR | Cite: | NMR structure of Escherichia coli glutaredoxin 3-glutathione mixed disulfide complex: implications for the enzymatic mechanism. J.Mol.Biol., 286, 1999
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3P9A
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![BU of 3p9a by Molmil](/molmil-images/mine/3p9a) | |
7LFC
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![BU of 7lfc by Molmil](/molmil-images/mine/7lfc) | |
7LF4
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![BU of 7lf4 by Molmil](/molmil-images/mine/7lf4) | |
7LET
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![BU of 7let by Molmil](/molmil-images/mine/7let) | |
7LEU
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7LEQ
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![BU of 7leq by Molmil](/molmil-images/mine/7leq) | |
1LJY
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![BU of 1ljy by Molmil](/molmil-images/mine/1ljy) | Crystal Structure of a Novel Regulatory 40 kDa Mammary Gland Protein (MGP-40) secreted during Involution | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MGP-40 | Authors: | Mohanty, A.K, Singh, G, Paramasivam, M, Saravanan, K, Jabeen, T, Sharma, S, Yadav, S, Kaur, P, Kumar, P, Srinivasan, A, Singh, T.P. | Deposit date: | 2002-04-23 | Release date: | 2003-03-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of a Novel Regulatory 40 kDa Mammary Gland Protein (MGP-40) secreted during Involution J.Biol.Chem., 278, 2003
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3Q5U
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![BU of 3q5u by Molmil](/molmil-images/mine/3q5u) | |
1CCD
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![BU of 1ccd by Molmil](/molmil-images/mine/1ccd) | REFINED STRUCTURE OF RAT CLARA CELL 17 KDA PROTEIN AT 3.0 ANGSTROMS RESOLUTION | Descriptor: | CLARA CELL 17 kD PROTEIN, SULFATE ION | Authors: | Umland, T.C, Swaminathan, S, Furey, W, Singh, G, Pletcher, J, Sax, M. | Deposit date: | 1991-09-17 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Refined structure of rat Clara cell 17 kDa protein at 3.0 A resolution. J.Mol.Biol., 224, 1992
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4BFR
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![BU of 4bfr by Molmil](/molmil-images/mine/4bfr) | Discovery and Optimization of Pyrimidone Indoline Amide PI3Kbeta Inhibitors for the Treatment of Phosphatase and TENsin homologue (PTEN)-Deficient Cancers | Descriptor: | 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC S SUBUNIT BETA ISOFORM | Authors: | Certal, V, Carry, J.C, Halley, F, Virone-Oddos, A, Thompson, F, Filoche-Romme, B, El-Ahmad, Y, Karlsson, A, Charrier, V, Delorme, C, Rak, A, Abecassis, P.Y, Amara, C, Vincent, L, Bonnevaux, H, Nicolas, J.P, Mathieu, M, Bertrand, T, Marquette, J.P, Michot, N, Benard, T, Perrin, M.A, Perron, S, Monget, S, Gruss-Leleu, F, Doerflinger, G, Guizani, H, Brollo, M, Delbarre, L, Bertin, L, Richepin, P, Loyau, V, Garcia-Echeverria, C, Lengauer, C, Schio, L. | Deposit date: | 2013-03-22 | Release date: | 2014-01-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and Optimization of Pyrimidone Indoline Amide Pi3Kbeta Inhibitors for the Treatment of Phosphatase and Tensin Homologue (Pten)-Deficient Cancers. J.Med.Chem., 57, 2014
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6AYC
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![BU of 6ayc by Molmil](/molmil-images/mine/6ayc) | Naegleria fowleri CYP51-itraconazole complex | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, PROTOPORPHYRIN IX CONTAINING FE, Protein CYP51 | Authors: | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | Deposit date: | 2017-09-08 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM). PLoS Negl Trop Dis, 11, 2017
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7N3J
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![BU of 7n3j by Molmil](/molmil-images/mine/7n3j) | |