6UD2
 
 | | co-crystal structure of compound 1 bound to human Mcl-1 | | Descriptor: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X, Whittington, D. | | Deposit date: | 2019-09-18 | | Release date: | 2019-12-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
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2OP7
 | | WW4 | | Descriptor: | NEDD4-like E3 ubiquitin-protein ligase WWP1 | | Authors: | Qin, H.N, Li, M.F, Pu, H, Sankaran, S, Ahmed, S, Song, J.X. | | Deposit date: | 2007-01-27 | | Release date: | 2007-12-11 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the forth WW domain of WWP1
To be Published
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6UD6
 | | Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions | | Descriptor: | CHLORIDE ION, GLYCEROL, Streptavidin | | Authors: | Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K. | | Deposit date: | 2019-09-18 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.502 Å) | | Cite: | Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid.
Biochemistry, 60, 2021
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6UDC
 | | Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions | | Descriptor: | BIOTIN, Streptavidin | | Authors: | Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K. | | Deposit date: | 2019-09-19 | | Release date: | 2020-09-23 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid.
Biochemistry, 60, 2021
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4D3N
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2OPP
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with GW420867X. | | Descriptor: | ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Weaver, K.L, Chan, S.J.H, Kleim, J, Stammers, D.K. | | Deposit date: | 2007-01-30 | | Release date: | 2007-05-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Relationship of Potency and Resilience to Drug Resistant Mutations for GW420867X Revealed by Crystal Structures of Inhibitor Complexes for Wild-Type, Leu100Ile, Lys101Glu, and Tyr188Cys Mutant HIV-1 Reverse Transcriptases.
J.Med.Chem., 50, 2007
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4D7H
 | | Structure of Bacillus subtilis nitric oxide synthase in complex with 7-(2-(3-(3-Fluorophenyl(propylamino)ethyl))quinolin-2- amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine, CHLORIDE ION, ... | | Authors: | Holden, J.K, Poulos, T.L. | | Deposit date: | 2014-11-25 | | Release date: | 2015-07-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Nitric Oxide Synthase as a Target for Methicillin-Resistant Staphylococcus Aureus
Chem.Biol., 22, 2015
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4CTD
 | | X-ray structure of an engineered OmpG loop6-deletion | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CHLORIDE ION, OUTER MEMBRANE PROTEIN G | | Authors: | Grosse, W, Essen, L.-O. | | Deposit date: | 2014-03-13 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure-Based Engineering of a Minimal Porin Reveals Loop- Independent Channel Closure.
Biochemistry, 53, 2014
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2ORO
 | | Murine inducible nitric oxide synthase oxygenase domain (delta 114) (r)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-pyrrolidine-2-carboxylic acid (2-benzo[1,3]dioxol-5-yl-ethyl)-amide complex | | Descriptor: | N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE, PROTOPORPHYRIN IX CONTAINING FE, SULFITE ION, ... | | Authors: | Adler, M, Whitlow, M. | | Deposit date: | 2007-02-04 | | Release date: | 2007-04-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
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3G2G
 | | S437Y Mutant of human muscle pyruvate kinase, isoform M2 | | Descriptor: | Pyruvate kinase isozymes M1/M2, SULFATE ION, UNKNOWN ATOM OR ION | | Authors: | Hong, B, Dimov, S, Allali-Hassani, A, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, c, Weigelt, J, Bochkarev, A, Vedadi, M, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-01-31 | | Release date: | 2009-03-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | S437Y Mutant of human muscle pyruvate kinase, isoform M2
To be Published
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6U0A
 | | Human Angiopoietin-Like 4 C-Terminal Domain (cANGPTL4) with Glycerol | | Descriptor: | Angiopoietin-related protein 4, GLYCEROL | | Authors: | Tarver, C.L, Yuan, Q, Singhal, A.J, Ramaker, R, Cooper, S, Pusey, M.L. | | Deposit date: | 2019-08-14 | | Release date: | 2019-10-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal Structures of Angiopoietin-Like 4 C-Terminal Domain (cANGPTL4) Reveal a Binding Pocket with Multiple Ligands
To Be Published
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3G5H
 | | Crystallographic analysis of cytochrome P450 cyp121 | | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Belin, P, Le Du, M.H, Gondry, M. | | Deposit date: | 2009-02-05 | | Release date: | 2009-04-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Identification and structural basis of the reaction catalyzed by CYP121, an essential cytochrome P450 in Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3ZSM
 | | Crystal structure of Apo Human Galectin-3 CRD at 1.25 angstrom resolution, at room temperature | | Descriptor: | GALECTIN-3 | | Authors: | Saraboji, K, Hakansson, M, Diehl, C, Nilsson, U.J, Leffler, H, Akke, M, Logan, D.T. | | Deposit date: | 2011-06-28 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The Carbohydrate-Binding Site in Galectin-3 is Pre-Organized to Recognize a Sugar-Like Framework of Oxygens: Ultra-High Resolution Structures and Water Dynamics.
Biochemistry, 51, 2012
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3ZXE
 | | Crystal structure of Human Galectin-7 in complex with a galactose- benzylphosphate inhibitor | | Descriptor: | GALECTIN-7, METHYL 2-O-[(S)-(BENZYLOXY)(HYDROXY)PHOSPHORYL]-3-DEOXY-3-{[(4-METHYLPHENYL)CARBONYL]AMINO}-1-THIO-BETA-D-GALACTOPYRANOSIDE | | Authors: | Masuyer, G, Oberg, C.T, Leffler, H, Nilsson, U.J, Acharya, K.R. | | Deposit date: | 2011-08-10 | | Release date: | 2011-11-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Inhibition Mechanism of Human Galectin-7 by a Novel Galactose-Benzylphosphate Inhibitor.
FEBS J., 279, 2012
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3DLA
 | | X-ray crystal structure of glutamine-dependent NAD+ synthetase from Mycobacterium tuberculosis bound to NaAD+ and DON | | Descriptor: | 5-OXO-L-NORLEUCINE, GLYCEROL, Glutamine-dependent NAD(+) synthetase, ... | | Authors: | LaRonde-LeBlanc, N.A, Resto, M, Gerratana, B. | | Deposit date: | 2008-06-26 | | Release date: | 2009-03-10 | | Last modified: | 2019-10-23 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Regulation of active site coupling in glutamine-dependent NAD(+) synthetase.
Nat.Struct.Mol.Biol., 16, 2009
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3DRG
 | | Lactococcal OppA complexed with bradykinin in the closed conformation | | Descriptor: | Bradykinin, CHLORIDE ION, Oligopeptide-binding protein oppA | | Authors: | Berntsson, R.P.-A, Doeven, M.K, Duurkens, R.H, Sengupta, D, Marrink, S.-J, Thunnissen, A.-M, Poolman, B, Slotboom, D.-J. | | Deposit date: | 2008-07-11 | | Release date: | 2009-03-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structural basis for peptide selection by the transport receptor OppA
Embo J., 28, 2009
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6U6F
 | | The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21 | | Descriptor: | 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Yang, Y, Stuckey, J.A, Nikolovska-Coleska, Z. | | Deposit date: | 2019-08-29 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
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3D87
 | | Crystal structure of Interleukin-23 | | Descriptor: | Interleukin-12 subunit p40, Interleukin-23 subunit p19, PHOSPHATE ION, ... | | Authors: | Beyer, B.M, Ingram, R, Ramanathan, L, Reichert, P, Le, H, Madison, V. | | Deposit date: | 2008-05-22 | | Release date: | 2008-09-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structures of the pro-inflammatory cytokine interleukin-23 and its complex with a high-affinity neutralizing antibody
J.Mol.Biol., 382, 2008
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3ZUI
 | | OMCI in complex with palmitoleic acid | | Descriptor: | COMPLEMENT INHIBITOR, PALMITOLEIC ACID | | Authors: | Roversi, P, Maillet, I, Togbe, D, Couillin, I, Quesniaux, V.F.J, Teixeira, M, Ahmat, N, Lissina, O, Boland, W, Ploss, K, Caesar, J.J.E, Leonhartsberger, S, Ryffel, B, Lea, S.M, Nunn, M.A. | | Deposit date: | 2011-07-19 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Bifunctional Lipocalin Ameliorates Murine Immune Complex-Induced Acute Lung Injury.
J.Biol.Chem., 288, 2013
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3D9S
 | | Human Aquaporin 5 (AQP5) - High Resolution X-ray Structure | | Descriptor: | Aquaporin-5, O-[(S)-{[(2S)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-D-serine | | Authors: | Horsefield, R, Norden, K, Fellert, M, Backmark, A, Tornroth-Horsefield, S, Terwisscha Van Scheltinga, A.C, Kvassman, J, Kjellbom, P, Johanson, U, Neutze, R. | | Deposit date: | 2008-05-27 | | Release date: | 2008-08-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High-resolution x-ray structure of human aquaporin 5
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3ZXD
 | | wild-type lysenin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | | Authors: | De Colibus, L, Sonnen, A.F.P, Morris, K.J, Siebert, C.A, Abrusci, P, Plitzko, J, Hodnik, V, Leippe, M, Volpi, E, Anderluh, G, Gilbert, R.J.C. | | Deposit date: | 2011-08-09 | | Release date: | 2012-09-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structures of Lysenin Reveal a Shared Evolutionary Origin for Pore-Forming Proteins and its Mode of Sphingomyelin Recognition.
Structure, 20, 2012
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3DRK
 | | Crystal structure of Lactococcal OppA co-crystallized with Neuropeptide S in an open conformation | | Descriptor: | Neuropeptide S, Oligopeptide-binding protein oppA | | Authors: | Berntsson, R.P.-A, Doeven, M.K, Duurkens, R.H, Sengupta, D, Marrink, S.-J, Thunnissen, A.-M, Poolman, B, Slotboom, D.-J. | | Deposit date: | 2008-07-11 | | Release date: | 2009-03-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structural basis for peptide selection by the transport receptor OppA
Embo J., 28, 2009
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3ZZJ
 | | Structure of an engineered aspartate aminotransferase | | Descriptor: | ASPARTATE AMINOTRANSFERASE, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Fernandez, F.J, deVries, D, Pena-Soler, E, Coll, M, Christen, P, Gehring, H, Vega, M.C. | | Deposit date: | 2011-09-01 | | Release date: | 2011-12-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and Mechanism of a Cysteine Sulfinate Desulfinase Engineered on the Aspartate Aminotransferase Scaffold.
Biocim.Biophys.Acta, 1824, 2011
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3ZUO
 | | OMCI in complex with leukotriene B4 | | Descriptor: | COMPLEMENT INHIBITOR, LEUKOTRIENE B4 | | Authors: | Roversi, P, Maillet, I, Togbe, D, Couillin, I, Quesniaux, V.F.J, Teixeira, M, Ahmat, N, Lissina, O, Boland, W, Ploss, K, Caesar, J.J.E, Leonhartsberger, S, Ryffel, B, Lea, S.M, Nunn, M.A. | | Deposit date: | 2011-07-19 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Bifunctional Lipocalin Ameliorates Murine Immune Complex-Induced Acute Lung Injury.
J.Biol.Chem., 288, 2013
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6UAB
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