6WF6
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![BU of 6wf6 by Molmil](/molmil-images/mine/6wf6) | Streptomyces coelicolor methylmalonyl-CoA epimerase | Descriptor: | COBALT (II) ION, DI(HYDROXYETHYL)ETHER, Methylmalonyl-CoA epimerase | Authors: | Stunkard, L.M, Benjamin, A.B, Bower, J.B, Huth, T.J, Lohman, J.R. | Deposit date: | 2020-04-03 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Substrate Enolate Intermediate and Mimic Captured in the Active Site of Streptomyces coelicolor Methylmalonyl-CoA Epimerase. Chembiochem, 23, 2022
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6WFH
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![BU of 6wfh by Molmil](/molmil-images/mine/6wfh) | Streptomyces coelicolor methylmalonyl-CoA epimerase substrate complex | Descriptor: | (3S,5R,9R,19E)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name), CHLORIDE ION, COBALT (II) ION, ... | Authors: | Stunkard, L.M, Benjamin, A.B, Bower, J.B, Huth, T.J, Lohman, J.R. | Deposit date: | 2020-04-03 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Substrate Enolate Intermediate and Mimic Captured in the Active Site of Streptomyces coelicolor Methylmalonyl-CoA Epimerase. Chembiochem, 23, 2022
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2CG7
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![BU of 2cg7 by Molmil](/molmil-images/mine/2cg7) | SECOND AND THIRD FIBRONECTIN TYPE I MODULE PAIR (CRYSTAL FORM II). | Descriptor: | FIBRONECTIN | Authors: | Rudino-Pinera, E, Ravelli, R.B.G, Sheldrick, G.M, Nanao, M.H, Werner, J.M, Schwarz-Linek, U, Potts, J.R, Garman, E.F. | Deposit date: | 2006-02-27 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The Solution and Crystal Structures of a Module Pair from the Staphylococcus Aureus-Binding Site of Human Fibronectin-A Tale with a Twist. J.Mol.Biol., 368, 2007
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5BKD
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![BU of 5bkd by Molmil](/molmil-images/mine/5bkd) | Crystal structure of AAD-1 in complex with (R)-cyhalofop, Mn(II), and 2-oxoglutarate | Descriptor: | (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ... | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2019-06-02 | Release date: | 2019-06-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants. Proc.Natl.Acad.Sci.USA, 116, 2019
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4K8I
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![BU of 4k8i by Molmil](/molmil-images/mine/4k8i) | Crystal Structure of Staphylococcal Nuclease mutant I92V/V99L | Descriptor: | Thermonuclease | Authors: | Sanders, J.M, Latimer, E.C, Roeser, J.R, Janowska, K, Sakon, J, Stites, W.E. | Deposit date: | 2013-04-18 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Hydrophobic core mutants of Staphylococcal nuclease To be Published
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5DJ8
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![BU of 5dj8 by Molmil](/molmil-images/mine/5dj8) | Fc Heterodimer Design 7.7 D399M/Y407A + T366V/K409I | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-01 | Release date: | 2016-03-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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5DJC
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![BU of 5djc by Molmil](/molmil-images/mine/5djc) | Fc Heterodimer Design 8.1 L368V/Y407A + T366V/K409F | Descriptor: | Fc-III peptide, IODIDE ION, Ig gamma-1 chain C region, ... | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-01 | Release date: | 2016-03-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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5DJ6
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![BU of 5dj6 by Molmil](/molmil-images/mine/5dj6) | Fc Heterodimer Design 6.1 F405W/Y407A + T366M | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-01 | Release date: | 2016-03-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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3CEG
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![BU of 3ceg by Molmil](/molmil-images/mine/3ceg) | Crystal structure of the UBC domain of baculoviral IAP repeat-containing protein 6 | Descriptor: | Baculoviral IAP repeat-containing protein 6 | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-02-29 | Release date: | 2008-04-01 | Last modified: | 2012-11-28 | Method: | X-RAY DIFFRACTION (2.008 Å) | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
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5GTI
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![BU of 5gti by Molmil](/molmil-images/mine/5gti) | Native XFEL structure of photosystem II (two flash dataset) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2016-08-20 | Release date: | 2017-03-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL. Nature, 543, 2017
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5H2F
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![BU of 5h2f by Molmil](/molmil-images/mine/5h2f) | Crystal structure of the PsbM-deletion mutant of photosystem II | Descriptor: | (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Uto, S, Kawakami, K, Umena, Y, Iwai, M, Ikeuchi, M, Shen, J.R, Kamiya, N. | Deposit date: | 2016-10-15 | Release date: | 2017-03-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mutual relationships between structural and functional changes in a PsbM-deletion mutant of photosystem II. Faraday Discuss., 198, 2017
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3CGC
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![BU of 3cgc by Molmil](/molmil-images/mine/3cgc) | |
3NGG
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![BU of 3ngg by Molmil](/molmil-images/mine/3ngg) | X-ray Structure of Omwaprin | Descriptor: | Omwaprin-a | Authors: | Banigan, J.R, Mandal, K, Sawaya, M.R, Thammavongsa, V, Hendrickx, A.P.A, Schneewind, O, Yeates, T.O, Kent, S.B.H. | Deposit date: | 2010-06-11 | Release date: | 2010-09-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Determination of the X-ray structure of the snake venom protein omwaprin by total chemical synthesis and racemic protein crystallography. Protein Sci., 19, 2010
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4H1N
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![BU of 4h1n by Molmil](/molmil-images/mine/4h1n) | Crystal Structure of P450 2B4 F297A Mutant in Complex with Anti-platelet Drug Clopidogrel | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Clopidogrel, Cytochrome P450 2B4, ... | Authors: | Shah, M.B, Jang, H.H, Stout, C.D, Halpert, J.R. | Deposit date: | 2012-09-10 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | X-ray crystal structure of the cytochrome P450 2B4 active site mutant F297A in complex with clopidogrel: Insights into compensatory rearrangements of the binding pocket. Arch.Biochem.Biophys., 530, 2013
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5HNK
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![BU of 5hnk by Molmil](/molmil-images/mine/5hnk) | Crystal structure of T5Fen in complex intact substrate and metal ions. | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*GP*CP*GP*TP*AP*CP*GP*C)-3'), Exodeoxyribonuclease, GLYCEROL, ... | Authors: | Almalki, F.A, Feng, M, Zhang, J, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.J. | Deposit date: | 2016-01-18 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Direct observation of DNA threading in flap endonuclease complexes. Nat.Struct.Mol.Biol., 23, 2016
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3NTB
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![BU of 3ntb by Molmil](/molmil-images/mine/3ntb) | Structure of 6-methylthio naproxen analog bound to mCOX-2. | Descriptor: | (2S)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Duggan, K.C, Musee, J, Walters, M.J, Harp, J.M, Kiefer, J.R, Oates, J.A, Marnett, L.J. | Deposit date: | 2010-07-03 | Release date: | 2010-09-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen. J.Biol.Chem., 285, 2010
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2AWF
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![BU of 2awf by Molmil](/molmil-images/mine/2awf) | Structure of human Ubiquitin-conjugating enzyme E2 G1 | Descriptor: | Ubiquitin-conjugating enzyme E2 G1 | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Finerty, P, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2005-09-01 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
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3NT1
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![BU of 3nt1 by Molmil](/molmil-images/mine/3nt1) | High resolution structure of naproxen:COX-2 complex. | Descriptor: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Duggan, K.C, Musee, J, Walters, M.J, Harp, J.M, Kiefer, J.R, Oates, J.A, Marnett, L.J. | Deposit date: | 2010-07-02 | Release date: | 2010-09-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen. J.Biol.Chem., 285, 2010
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5H9M
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![BU of 5h9m by Molmil](/molmil-images/mine/5h9m) | Crystal structure of siah2 SBD domain | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase SIAH2, PENTAETHYLENE GLYCOL, ... | Authors: | Dong, A, Zhang, Q, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-28 | Release date: | 2016-02-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.761 Å) | Cite: | Crystal structure of siah2 SBD domain to be published
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3CX2
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![BU of 3cx2 by Molmil](/molmil-images/mine/3cx2) | Crystal structure of the C1 domain of cardiac isoform of myosin binding protein-C at 1.3A | Descriptor: | Myosin-binding protein C, cardiac-type | Authors: | Fisher, S.J, Helliwell, J.R, Khurshid, S, Govada, L, Redwood, C, Squire, J.M, Chayen, N.E. | Deposit date: | 2008-04-23 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | An investigation into the protonation states of the C1 domain of cardiac myosin-binding protein C Acta Crystallogr.,Sect.D, 64, 2008
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4K07
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![BU of 4k07 by Molmil](/molmil-images/mine/4k07) | Crystal structure of the amyloid-forming immunoglobulin AL-103 cis-proline 95 mutant | Descriptor: | Amyloidogenic immunoglobulin light chain protein AL-103, SULFATE ION | Authors: | Thompson, J.R, Berkholz, D.S, Mahlum, E.W, Ramirez-Alvarado, M. | Deposit date: | 2013-04-03 | Release date: | 2013-10-30 | Last modified: | 2014-01-22 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Kinetic control in protein folding for light chain amyloidosis and the differential effects of somatic mutations. J.Mol.Biol., 426, 2014
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2CTV
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![BU of 2ctv by Molmil](/molmil-images/mine/2ctv) | |
4HXY
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![BU of 4hxy by Molmil](/molmil-images/mine/4hxy) | |
4HXA
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![BU of 4hxa by Molmil](/molmil-images/mine/4hxa) | Crystal structure of 13D9 FAB | Descriptor: | 13D9 FAB HEAVY CHAIN, 13D9 FAB LIGHT CHAIN | Authors: | Johal, A.R, Jarrell, H.C, Khieu, N.H, Letts, J.A, Landry, R.C, Jachymek, W, Yang, Q, Jennings, H.J, Brisson, J.R, Evans, S.V. | Deposit date: | 2012-11-09 | Release date: | 2013-07-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | The antigen-binding site of an N-propionylated polysialic acid-specific antibody protective against group B meningococci is consistent with extended epitopes. Glycobiology, 23, 2013
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4K00
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![BU of 4k00 by Molmil](/molmil-images/mine/4k00) | Crystal structure of Slr0204, a 1,4-dihydroxy-2-naphthoyl-CoA thioesterase from Synechocystis | Descriptor: | 1,2-ETHANEDIOL, 1,4-dihydroxy-2-naphthoyl-CoA hydrolase | Authors: | Furt, F, Allen, W.J, Widhalm, J.R, Madzelan, P, Rizzo, R.C, Basset, G, Wilson, M.A. | Deposit date: | 2013-04-03 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Functional convergence of structurally distinct thioesterases from cyanobacteria and plants involved in phylloquinone biosynthesis. Acta Crystallogr.,Sect.D, 69, 2013
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