4YXI
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![BU of 4yxi by Molmil](/molmil-images/mine/4yxi) | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (2). | Descriptor: | 4-methylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-23 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
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4YXU
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![BU of 4yxu by Molmil](/molmil-images/mine/4yxu) | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (4). | Descriptor: | 4-propylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-23 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
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3JT6
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![BU of 3jt6 by Molmil](/molmil-images/mine/3jt6) | Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[4-(methylsulfanyl)butanimidoyl]-L-ornithine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2009-09-11 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency. J.Am.Chem.Soc., 132, 2010
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4YYT
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![BU of 4yyt by Molmil](/molmil-images/mine/4yyt) | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (5). | Descriptor: | 4-(2-hydroxyethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-24 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
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7PX5
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![BU of 7px5 by Molmil](/molmil-images/mine/7px5) | ATAD2 in complex with 1-Methyl-2-quinolone | Descriptor: | 1,2-ETHANEDIOL, 1-METHYLQUINOLIN-2(1H)-ONE, ATPase family AAA domain-containing protein 2, ... | Authors: | Martin, M.P, Noble, M.E.N. | Deposit date: | 2021-10-07 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Exiting the tunnel of uncertainty: crystal soak to validated hit. Acta Crystallogr D Struct Biol, 78, 2022
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2GGK
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![BU of 2ggk by Molmil](/molmil-images/mine/2ggk) | |
4K5B
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![BU of 4k5b by Molmil](/molmil-images/mine/4k5b) | Co-crystallization with conformation-specific designed ankyrin repeat proteins explains the conformational flexibility of BCL-W | Descriptor: | Apoptosis regulator BCL-W, Bcl-2-like protein 2 | Authors: | Schilling, J, Schoeppe, J, Sauer, E, Plueckthun, A. | Deposit date: | 2013-04-14 | Release date: | 2014-04-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Co-Crystallization with Conformation-Specific Designed Ankyrin Repeat Proteins Explains the Conformational Flexibility of BCL-W J.Mol.Biol., 426, 2014
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2JNT
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![BU of 2jnt by Molmil](/molmil-images/mine/2jnt) | Structure of Bombyx mori Chemosensory Protein 1 in Solution | Descriptor: | Chemosensory protein CSP1 | Authors: | Jansen, S, Zidek, L, Chmelik, J, Novak, P, Padrta, P, Picimbon, J, Lofstedt, C, Sklenar, V. | Deposit date: | 2007-02-02 | Release date: | 2007-11-20 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Structure of Bombyx mori chemosensory protein 1 in solution Arch.Insect Biochem.Physiol., 66, 2007
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6VZW
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![BU of 6vzw by Molmil](/molmil-images/mine/6vzw) | TTLL6 bound to the initiation analog | Descriptor: | (2~{S})-2-[[[(3~{R})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.L, Tanner, T.E, Tjandra, N, Roll-Mecak, A. | Deposit date: | 2020-02-28 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes. Nat.Struct.Mol.Biol., 27, 2020
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4YXO
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![BU of 4yxo by Molmil](/molmil-images/mine/4yxo) | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (3). | Descriptor: | 4-ethylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-23 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
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6W1M
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![BU of 6w1m by Molmil](/molmil-images/mine/6w1m) | Cryo-EM structure of 5HT3A receptor in presence of Ondansetron | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(4-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ... | Authors: | Basak, S, Chakrapani, S. | Deposit date: | 2020-03-04 | Release date: | 2021-01-13 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | High-resolution structures of multiple 5-HT 3A R-setron complexes reveal a novel mechanism of competitive inhibition. Elife, 9, 2020
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6W1Y
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![BU of 6w1y by Molmil](/molmil-images/mine/6w1y) | Cryo-EM structure of 5HT3A receptor in presence of Palonosetron | Descriptor: | (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(4-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Basak, S, Chakrapani, S. | Deposit date: | 2020-03-04 | Release date: | 2021-01-13 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | High-resolution structures of multiple 5-HT 3A R-setron complexes reveal a novel mechanism of competitive inhibition. Elife, 9, 2020
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4Z82
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![BU of 4z82 by Molmil](/molmil-images/mine/4z82) | Cysteine bound rat cysteine dioxygenase C164S variant at pH 8.1 | Descriptor: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION | Authors: | Fellner, M, Tchesnokov, E.P, Siakkou, E, Rutledge, M.T, Kanitz, M, Jameson, G.N.L, Wilbanks, S.M. | Deposit date: | 2015-04-08 | Release date: | 2016-06-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Influence of cysteine 164 on active site structure in rat cysteine dioxygenase. J.Biol.Inorg.Chem., 21, 2016
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3JT3
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![BU of 3jt3 by Molmil](/molmil-images/mine/3jt3) | Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[2-(methylsulfanyl)ethanimidoyl]-L-ornithine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2009-09-11 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency. J.Am.Chem.Soc., 132, 2010
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5E5E
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![BU of 5e5e by Molmil](/molmil-images/mine/5e5e) | |
3JVZ
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![BU of 3jvz by Molmil](/molmil-images/mine/3jvz) | E2~Ubiquitin-HECT | Descriptor: | E3 ubiquitin-protein ligase NEDD4-like, Ubiquitin, Ubiquitin-conjugating enzyme E2 D2 | Authors: | Souphron, J, Kamadurai, H.B, Schulman, B.A. | Deposit date: | 2009-09-17 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Insights into ubiquitin transfer cascades from a structure of a UbcH5B approximately ubiquitin-HECT(NEDD4L) complex. Mol.Cell, 36, 2009
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2Y58
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![BU of 2y58 by Molmil](/molmil-images/mine/2y58) | Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Compound 6) | Descriptor: | CHLORIDE ION, SOLUBLE ACETYLCHOLINE RECEPTOR, SULFATE ION, ... | Authors: | Rucktooa, P, Edink, E, deEsch, I.J.P, Sixma, T.K. | Deposit date: | 2011-01-12 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis. J.Am.Chem.Soc., 133, 2011
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4ZJ1
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![BU of 4zj1 by Molmil](/molmil-images/mine/4zj1) | Crystal Structure of p-acrylamido-phenylalanine modified TEM1 beta-lactamase from Escherichia coli : V216AcrF mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase TEM, DI(HYDROXYETHYL)ETHER, ... | Authors: | Xiao, H, Nasertorabi, F, Choi, S, Han, G.W, Reed, S.A, Stevens, R.C, Schultz, P.G. | Deposit date: | 2015-04-28 | Release date: | 2015-05-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Exploring the potential impact of an expanded genetic code on protein function. Proc.Natl.Acad.Sci.USA, 112, 2015
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3JT4
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![BU of 3jt4 by Molmil](/molmil-images/mine/3jt4) | Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[(3-(ethylsulfanyl)propanimidoyl]-L-ornithine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2009-09-11 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency. J.Am.Chem.Soc., 132, 2010
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4KPA
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![BU of 4kpa by Molmil](/molmil-images/mine/4kpa) | Crystal structure of cytochrome P450 BM-3 in complex with N-palmitoylglycine (NPG) | Descriptor: | Cytochrome P450 BM-3, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Amadeo, G.A, Catalano, J, McDermott, A.E, Tong, L. | Deposit date: | 2013-05-13 | Release date: | 2013-07-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Evidence: A Single Charged Residue Affects Substrate Binding in Cytochrome P450 BM-3. Biochemistry, 52, 2013
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2BJ4
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![BU of 2bj4 by Molmil](/molmil-images/mine/2bj4) | ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH A PHAGE-DISPLAY DERIVED PEPTIDE ANTAGONIST | Descriptor: | 4-HYDROXYTAMOXIFEN, ESTROGEN RECEPTOR, PEPTIDE ANTAGONIST | Authors: | Kong, E, Heldring, N, Gustafsson, J.A, Treuter, E, Hubbard, R.E, Pike, A.C.W. | Deposit date: | 2005-01-28 | Release date: | 2005-02-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Delineation of a Unique Protein-Protein Interaction Site on the Surface of the Estrogen Receptor Proc.Natl.Acad.Sci.USA, 102, 2005
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6W1J
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![BU of 6w1j by Molmil](/molmil-images/mine/6w1j) | Cryo-EM structure of 5HT3A receptor in presence of Alosetron | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(4-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ... | Authors: | Basak, S, Chakrapani, S. | Deposit date: | 2020-03-04 | Release date: | 2021-01-13 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | High-resolution structures of multiple 5-HT 3A R-setron complexes reveal a novel mechanism of competitive inhibition. Elife, 9, 2020
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6VZR
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![BU of 6vzr by Molmil](/molmil-images/mine/6vzr) | Engineered TTLL6 bound to the initiation analog | Descriptor: | (2~{S})-2-[[[(3~{R})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.L, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | Deposit date: | 2020-02-28 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes. Nat.Struct.Mol.Biol., 27, 2020
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2GKW
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![BU of 2gkw by Molmil](/molmil-images/mine/2gkw) | Key contacts promote recongnito of BAFF-R by TRAF3 | Descriptor: | TNF receptor-associated factor 3, Tumor necrosis factor receptor superfamily member 13C | Authors: | Ely, K.R. | Deposit date: | 2006-04-03 | Release date: | 2006-04-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Key molecular contacts promote recognition of the BAFF receptor by TNF receptor-associated factor 3: implications for intracellular signaling regulation. J.Immunol., 173, 2004
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8DEY
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![BU of 8dey by Molmil](/molmil-images/mine/8dey) | Ternary complex structure of Cereblon-DDB1 bound to IKZF2(ZF2,3) and the molecular glue DKY709 | Descriptor: | (3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, DNA damage-binding protein 1, Protein cereblon, ... | Authors: | Ma, X, Ornelas, E, Clifton, M.C. | Deposit date: | 2022-06-21 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Discovery and characterization of a selective IKZF2 glue degrader for cancer immunotherapy. Cell Chem Biol, 30, 2023
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