4KKC
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3JWZ
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![BU of 3jwz by Molmil](/molmil-images/mine/3jwz) | Structure of endothelial nitric oxide synthase heme domain complexed with N1-[(3' S,4' R)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLIC ACID, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2009-09-18 | Release date: | 2010-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model. J.Am.Chem.Soc., 132, 2010
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7LWV
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4KMZ
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![BU of 4kmz by Molmil](/molmil-images/mine/4kmz) | Human folate receptor beta (FOLR2) in complex with the folate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, FOLIC ACID, ... | Authors: | Wibowo, A.S, Dann III, C.E. | Deposit date: | 2013-05-08 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of human folate receptors reveal biological trafficking states and diversity in folate and antifolate recognition. Proc.Natl.Acad.Sci.USA, 110, 2013
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4I8P
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![BU of 4i8p by Molmil](/molmil-images/mine/4i8p) | Crystal structure of aminoaldehyde dehydrogenase 1a from Zea mays (ZmAMADH1a) | Descriptor: | 1,2-ETHANEDIOL, Aminoaldehyde dehydrogenase 1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Morera, S, Vigouroux, A, Kopecny, D. | Deposit date: | 2012-12-04 | Release date: | 2013-02-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Plant ALDH10 family: identifying critical residues for substrate specificity and trapping a thiohemiacetal intermediate. J.Biol.Chem., 288, 2013
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3JYT
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![BU of 3jyt by Molmil](/molmil-images/mine/3jyt) | K65R mutant HIV-1 reverse transcriptase cross-linked to DS-DNA and complexed with DATP as the incoming nucleotide substrate | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(*A*TP*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ... | Authors: | Das, K, Arnold, E. | Deposit date: | 2009-09-22 | Release date: | 2009-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis for the role of the K65r mutation in HIV-1 reverse transcriptase polymerization, excision antagonism, and tenofovir resistance. J.Biol.Chem., 284, 2009
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4I9E
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7BLZ
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![BU of 7blz by Molmil](/molmil-images/mine/7blz) | Red alga C.merolae Photosystem I | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R)-beta,beta-caroten-3-ol, ... | Authors: | Nelson, N, Klaiman, D, Hippler, M. | Deposit date: | 2021-01-19 | Release date: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Red alga C.merolae Photosystem I To Be Published
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6ZI9
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![BU of 6zi9 by Molmil](/molmil-images/mine/6zi9) | Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 300 ps (b) structure | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | Authors: | Baath, P, Dods, R, Braenden, G, Neutze, R. | Deposit date: | 2020-06-25 | Release date: | 2020-12-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Ultrafast structural changes within a photosynthetic reaction centre. Nature, 589, 2021
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4IAR
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![BU of 4iar by Molmil](/molmil-images/mine/4iar) | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target) | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Ergotamine | Authors: | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR) | Deposit date: | 2012-12-07 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for molecular recognition at serotonin receptors. Science, 340, 2013
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4KR4
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3I3Q
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![BU of 3i3q by Molmil](/molmil-images/mine/3i3q) | Crystal Structure of AlkB in complex with Mn(II) and 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase alkB, MANGANESE (II) ION | Authors: | Yu, B, Hunt, J.F. | Deposit date: | 2009-06-30 | Release date: | 2009-08-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enzymological and structural studies of the mechanism of promiscuous substrate recognition by the oxidative DNA repair enzyme AlkB. Proc.Natl.Acad.Sci.USA, 106, 2009
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4KCO
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![BU of 4kco by Molmil](/molmil-images/mine/4kco) | Structure of neuronal nitric oxide synthase heme domain in complex with N-(3-((ethyl(3-fluorophenethyl)amino)methyl)phenyl)thiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, BROMIDE ION, N-[3-({ethyl[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-24 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma. J.Med.Chem., 57, 2014
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3HX9
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![BU of 3hx9 by Molmil](/molmil-images/mine/3hx9) | Structure of heme-degrader, MhuD (Rv3592), from Mycobacterium tuberculosis with two hemes bound in its active site | Descriptor: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Protein Rv3592 | Authors: | Chim, N, Nguyen, T.Q, Iniguez, A, Goulding, C.W. | Deposit date: | 2009-06-19 | Release date: | 2009-12-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Unusual Diheme Conformation of the Heme-Degrading Protein from Mycobacterium tuberculosis J.Mol.Biol., 395, 2009
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4HW2
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![BU of 4hw2 by Molmil](/molmil-images/mine/4hw2) | Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design | Descriptor: | 1,2-ETHANEDIOL, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Zhao, B. | Deposit date: | 2012-11-07 | Release date: | 2013-01-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design. J.Med.Chem., 56, 2013
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7LHB
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![BU of 7lhb by Molmil](/molmil-images/mine/7lhb) | Crystal structure of Bcl-2 in complex with prodrug ABBV-167 | Descriptor: | Apoptosis regulator Bcl-2, Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester | Authors: | Judge, R.A, Salem, A.H. | Deposit date: | 2021-01-21 | Release date: | 2021-04-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.068 Å) | Cite: | Expanding the Repertoire for "Large Small Molecules": Prodrug ABBV-167 Efficiently Converts to Venetoclax with Reduced Food Effect in Healthy Volunteers. Mol.Cancer Ther., 20, 2021
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6YTV
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6YWE
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![BU of 6ywe by Molmil](/molmil-images/mine/6ywe) | The structure of the mitoribosome from Neurospora crassa in the P/E tRNA bound state | Descriptor: | 16S rRNA, 23S rRNA, 3-hydroxyisobutyryl-CoA hydrolase, ... | Authors: | Amunts, A, Itoh, Y, Naschberger, A. | Deposit date: | 2020-04-29 | Release date: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi. Nat Commun, 11, 2020
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6Z1P
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3I2J
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![BU of 3i2j by Molmil](/molmil-images/mine/3i2j) | Cocaine Esterase, wild type, without a ligand | Descriptor: | CHLORIDE ION, Cocaine esterase, GLYCEROL, ... | Authors: | Tesmer, J.J.G, Nance, M.R. | Deposit date: | 2009-06-29 | Release date: | 2010-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural analysis of thermostabilizing mutations of cocaine esterase. Protein Eng.Des.Sel., 23, 2010
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4M64
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3I58
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4MDH
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3I2I
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![BU of 3i2i by Molmil](/molmil-images/mine/3i2i) | Cocaine Esterase with mutation T172R, bound to DTT adduct | Descriptor: | (4S,5S)-4,5-BIS(MERCAPTOMETHYL)-1,3-DIOXOLAN-2-OL, CHLORIDE ION, Cocaine esterase, ... | Authors: | Tesmer, J.J.G, Nance, M.R. | Deposit date: | 2009-06-29 | Release date: | 2010-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structural analysis of thermostabilizing mutations of cocaine esterase. Protein Eng.Des.Sel., 23, 2010
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4FIB
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![BU of 4fib by Molmil](/molmil-images/mine/4fib) | Crystal structure of the ydhK protein from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR518A. | Descriptor: | Uncharacterized protein ydhK | Authors: | Vorobiev, S, Abashidze, M, Seetharaman, J, Mao, M, Xiao, R, Maglaqui, M, Owens, L.A, Cunningham, K, Zhao, L, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-06-08 | Release date: | 2012-06-20 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Crystal structure of the ydhK protein from Bacillus subtilis. To be Published
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