6GYX
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4AR7
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![BU of 4ar7 by Molmil](/molmil-images/mine/4ar7) | X-ray structure of the cyan fluorescent protein mTurquoise | Descriptor: | GREEN FLUORESCENT PROTEIN | Authors: | von Stetten, D, Noirclerc-Savoye, M, Goedhart, J, Gadella, T.W.J, Royant, A. | Deposit date: | 2012-04-21 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Structure of a Fluorescent Protein from Aequorea Victoria Bearing the Obligate-Monomer Mutation A206K. Acta Crystallogr.,Sect.F, 68, 2012
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1AZ3
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![BU of 1az3 by Molmil](/molmil-images/mine/1az3) | ECORV ENDONUCLEASE, UNLIGANDED, FORM B | Descriptor: | ECORV ENDONUCLEASE | Authors: | Perona, J, Martin, A. | Deposit date: | 1997-11-24 | Release date: | 1998-05-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational transitions and structural deformability of EcoRV endonuclease revealed by crystallographic analysis. J.Mol.Biol., 273, 1997
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1K4U
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![BU of 1k4u by Molmil](/molmil-images/mine/1k4u) | Solution structure of the C-terminal SH3 domain of p67phox complexed with the C-terminal tail region of p47phox | Descriptor: | PHAGOCYTE NADPH OXIDASE SUBUNIT P47PHOX, PHAGOCYTE NADPH OXIDASE SUBUNIT P67PHOX | Authors: | Kami, K, Takeya, R, Sumimoto, H, Kohda, D. | Deposit date: | 2001-10-08 | Release date: | 2002-04-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Diverse recognition of non-PxxP peptide ligands by the SH3 domains from p67(phox), Grb2 and Pex13p. EMBO J., 21, 2002
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4S1P
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![BU of 4s1p by Molmil](/molmil-images/mine/4s1p) | Shel_16390 protein, a putative SGNH hydrolase from Slackia heliotrinireducens | Descriptor: | UNKNOWN LIGAND, Uncharacterized protein | Authors: | Osipiuk, J, Cuff, M.E, Wu, R, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-01-14 | Release date: | 2015-01-28 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Shel_16390 protein, a putative SGNH hydrolase from Slackia heliotrinireducens To be Published
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3SZ7
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6HUW
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5IUS
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![BU of 5ius by Molmil](/molmil-images/mine/5ius) | Crystal structure of human PD-L1 in complex with high affinity PD-1 mutant | Descriptor: | CHLORIDE ION, Programmed cell death 1 ligand 1, Programmed cell death protein 1 | Authors: | Pascolutti, R, Sun, X, Kao, J, Maute, R, Ring, A.M, Bowman, G.R, Kruse, A.C. | Deposit date: | 2016-03-18 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.889 Å) | Cite: | Structure and Dynamics of PD-L1 and an Ultra-High-Affinity PD-1 Receptor Mutant. Structure, 24, 2016
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6KAD
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![BU of 6kad by Molmil](/molmil-images/mine/6kad) | Cryo-EM structure of the C2S2M2L2-type PSII-LHCII supercomplex from Chlamydomonas reihardtii | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Sheng, X, Watanabe, A, Li, A.J, Kim, E, Song, C, Murata, K, Song, D.F, Minagawa, J, Liu, Z.F. | Deposit date: | 2019-06-21 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural insight into light harvesting for photosystem II in green algae. Nat.Plants, 5, 2019
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6KHJ
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![BU of 6khj by Molmil](/molmil-images/mine/6khj) | Supercomplex for electron transfer | 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: | Pan, X, Cao, D, Xie, F, Zhang, X, Li, M. | Deposit date: | 2019-07-15 | Release date: | 2020-02-12 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for electron transport mechanism of complex I-like photosynthetic NAD(P)H dehydrogenase. Nat Commun, 11, 2020
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6KMA
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![BU of 6kma by Molmil](/molmil-images/mine/6kma) | Crystal structure of SucA with glycolaldehyde-1-13C from Vibrio vulnificus | Descriptor: | 2-oxidanylethanal, CALCIUM ION, HEXAETHYLENE GLYCOL, ... | Authors: | Seo, P.W, Kim, J.S. | Deposit date: | 2019-07-31 | Release date: | 2020-08-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.282 Å) | Cite: | Understanding the molecular properties of the E1 subunit (SucA) of alpha-ketoglutarate dehydrogenase complex from Vibrio vulnificus for the enantioselective ligation of acetaldehydes into (R)-acetoin. Catalysis Science And Technology, 2020
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5HHF
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6KAF
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![BU of 6kaf by Molmil](/molmil-images/mine/6kaf) | C2S2M2N2-type PSII-LHCII | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Chang, S.H, Shen, L.L, Huang, Z.H, Wang, W.D, Han, G.Y, Shen, J.R, Zhang, X. | Deposit date: | 2019-06-22 | Release date: | 2019-10-23 | Last modified: | 2019-11-20 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | Structure of a C2S2M2N2-type PSII-LHCII supercomplex from the green algaChlamydomonas reinhardtii. Proc.Natl.Acad.Sci.USA, 116, 2019
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5A90
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![BU of 5a90 by Molmil](/molmil-images/mine/5a90) | 100K Neutron Ligand Free: Exploring the Mechanism of beta-Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography | Descriptor: | BETA-LACTAMASE CTX-M-97 | Authors: | Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L. | Deposit date: | 2015-07-17 | Release date: | 2015-12-16 | Last modified: | 2024-05-08 | Method: | NEUTRON DIFFRACTION (1.7 Å) | Cite: | Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography. J.Med.Chem., 59, 2016
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3H51
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6HRQ
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![BU of 6hrq by Molmil](/molmil-images/mine/6hrq) | Crystal structure of Schistosoma mansoni HDAC8 complexed with NCC-149 | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-09-28 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.845 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HTI
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![BU of 6hti by Molmil](/molmil-images/mine/6hti) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 6 | Descriptor: | GLYCEROL, Histone deacetylase, POTASSIUM ION, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-04 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.693 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HTT
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![BU of 6htt by Molmil](/molmil-images/mine/6htt) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 7 | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-04 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.748 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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3GPW
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![BU of 3gpw by Molmil](/molmil-images/mine/3gpw) | Crystal structure of the yeast 20S proteasome in complex with Salinosporamide derivatives: irreversible inhibitor ligand | Descriptor: | (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE, Proteasome component C1, Proteasome component C11, ... | Authors: | Groll, M, Macherla, V.R, Manam, R.R, Arthur, K.A.M, Potts, C.B. | Deposit date: | 2009-03-23 | Release date: | 2009-09-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Snapshots of the fluorosalinosporamide/20S complex offer mechanistic insights for fine tuning proteasome inhibition J.Med.Chem., 52, 2009
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3GPT
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![BU of 3gpt by Molmil](/molmil-images/mine/3gpt) | Crystal structure of the yeast 20S proteasome in complex with Salinosporamide derivatives: slow substrate ligand | Descriptor: | (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde, Proteasome component C1, Proteasome component C11, ... | Authors: | Groll, M, Macherla, V.R, Manam, R.R, Arthur, K.A.M, Potts, C.B. | Deposit date: | 2009-03-23 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Snapshots of the fluorosalinosporamide/20S complex offer mechanistic insights for fine tuning proteasome inhibition J.Med.Chem., 52, 2009
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5A91
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![BU of 5a91 by Molmil](/molmil-images/mine/5a91) | 15K X-ray ligand free: Exploring the Mechanism of beta-Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography | Descriptor: | Beta-lactamase Toho-1, SULFATE ION | Authors: | Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L. | Deposit date: | 2015-07-17 | Release date: | 2015-12-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography. J.Med.Chem., 59, 2016
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6HTH
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![BU of 6hth by Molmil](/molmil-images/mine/6hth) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 5 | Descriptor: | 4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-04 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HU3
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![BU of 6hu3 by Molmil](/molmil-images/mine/6hu3) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate inhibitor | Descriptor: | 1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-05 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.655 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HI2
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![BU of 6hi2 by Molmil](/molmil-images/mine/6hi2) | PI3 Kinase Delta in complex with 3{6[(1S,6R)3oxabicyclo[4.1.0]heptan6yl]pyridin2yl}phenol | Descriptor: | 3-[6-[(1~{S},6~{R})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Convery, M.A, Summers, D, Peace, S. | Deposit date: | 2018-08-29 | Release date: | 2019-09-11 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A theoretical and experimental investigation into the conformational bias of aryl cyclopropylpyrans, novel bioisosteres for N-aryl morpholines. to be published
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4K76
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![BU of 4k76 by Molmil](/molmil-images/mine/4k76) | |