2RL0
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5I49
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![BU of 5i49 by Molmil](/molmil-images/mine/5i49) | RNA Editing TUTase 1 from Trypanosoma brucei in complex with UTP analog UMPNPP | Descriptor: | 3' terminal uridylyl transferase, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, MAGNESIUM ION, ... | Authors: | Thore, S, Rajappa, L.T. | Deposit date: | 2016-02-11 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | RNA Editing TUTase 1: structural foundation of substrate recognition, complex interactions and drug targeting. Nucleic Acids Res., 44, 2016
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6URH
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5I7X
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![BU of 5i7x by Molmil](/molmil-images/mine/5i7x) | BRD9 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide) | Descriptor: | Bromodomain-containing protein 9, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide | Authors: | Murray, J.M. | Deposit date: | 2016-02-18 | Release date: | 2016-10-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.1752 Å) | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. J.Med.Chem., 59, 2016
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5I8C
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![BU of 5i8c by Molmil](/molmil-images/mine/5i8c) | Crystal Structure of HIV-1 Clade A BG505 Fusion Peptide (residue 512-520) in Complex with Broadly Neutralizing Antibody VRC34.01 Fab | Descriptor: | HIV-1 Clade A BG505 Fusion Peptide (residue 512-520), VRC34.01 Fab heavy chain, VRC34.01 Fab light chain | Authors: | Xu, K, Zhou, T, Liu, K, Kwong, P.D. | Deposit date: | 2016-02-18 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody. Science, 352, 2016
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5I8G
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![BU of 5i8g by Molmil](/molmil-images/mine/5i8g) | CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one) | Descriptor: | (4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Murray, J.M. | Deposit date: | 2016-02-18 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637). Acs Med.Chem.Lett., 7, 2016
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5I88
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![BU of 5i88 by Molmil](/molmil-images/mine/5i88) | BRD4 in complex with Cpd4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide) | Descriptor: | 1,2-ETHANEDIOL, 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Bromodomain-containing protein 4, ... | Authors: | Murray, J.M. | Deposit date: | 2016-02-18 | Release date: | 2016-10-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. J.Med.Chem., 59, 2016
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6V7F
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![BU of 6v7f by Molmil](/molmil-images/mine/6v7f) | Human Arginase1 Complexed with Bicyclic Inhibitor Compound 13 | Descriptor: | Arginase-1, MANGANESE (II) ION, {3-[(5R,7S,8S)-8-azaniumyl-8-carboxy-2-azaspiro[4.4]nonan-2-ium-7-yl]propyl}(trihydroxy)borate(1-) | Authors: | Palte, R.L, Lesburg, C.A. | Deposit date: | 2019-12-08 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy. Acs Med.Chem.Lett., 11, 2020
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6V4G
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![BU of 6v4g by Molmil](/molmil-images/mine/6v4g) | Crystal Structure Analysis of Zebra fish MDMX | Descriptor: | Protein Mdm4, SULFATE ION, Stapled peptide QSQQTF(0EH)NLWRLE(MK8)QN(NH2) | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2019-11-27 | Release date: | 2020-04-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Identification of a Structural Determinant for Selective Targeting of HDMX. Structure, 28, 2020
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6UYK
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![BU of 6uyk by Molmil](/molmil-images/mine/6uyk) | Dark-operative protochlorophyllide oxidoreductase in the nucleotide-free form. | Descriptor: | CHLORIDE ION, IRON/SULFUR CLUSTER, Light-independent protochlorophyllide reductase iron-sulfur ATP-binding protein | Authors: | Bacik, J.P, Imran, S.M.S, Watkins, M.B, Corless, E, Antony, E, Ando, N. | Deposit date: | 2019-11-13 | Release date: | 2020-12-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The flexible N-terminus of BchL autoinhibits activity through interaction with its [4Fe-4S] cluster and released upon ATP binding. J.Biol.Chem., 296, 2020
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2RKY
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6V8V
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![BU of 6v8v by Molmil](/molmil-images/mine/6v8v) | Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-2 | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2019-12-12 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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5I86
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![BU of 5i86 by Molmil](/molmil-images/mine/5i86) | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174 | Descriptor: | (4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ... | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | Deposit date: | 2016-02-18 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637). Acs Med.Chem.Lett., 7, 2016
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5I8H
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![BU of 5i8h by Molmil](/molmil-images/mine/5i8h) | Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer in Complex with V3 Loop-targeting Antibody PGT122 Fab and Fusion Peptide-targeting Antibody VRC34.01 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP.664 gp120, ... | Authors: | Xu, K, Zhou, T, Kwong, P.D. | Deposit date: | 2016-02-18 | Release date: | 2016-05-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (4.301 Å) | Cite: | Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody. Science, 352, 2016
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6V7U
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6V83
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![BU of 6v83 by Molmil](/molmil-images/mine/6v83) | Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-1 | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2019-12-10 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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5I80
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![BU of 5i80 by Molmil](/molmil-images/mine/5i80) | BRD4 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | Authors: | Murray, J.M. | Deposit date: | 2016-02-18 | Release date: | 2016-10-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4501 Å) | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. J.Med.Chem., 59, 2016
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2UVK
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![BU of 2uvk by Molmil](/molmil-images/mine/2uvk) | Structure of YjhT | Descriptor: | YJHT | Authors: | Muller, A, Severi, E, Wilson, K.S, Thomas, G.H. | Deposit date: | 2007-03-12 | Release date: | 2007-12-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Sialic Acid Mutarotation is Catalyzed by the Escherichia Coli Beta-Propeller Protein Yjht. J.Biol.Chem., 283, 2008
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6UVO
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![BU of 6uvo by Molmil](/molmil-images/mine/6uvo) | Structure of antibody 3G12 bound to the central conserved domain of RSV G | Descriptor: | 3G12 Fab Heavy chain, 3G12 Fab light chain, Major surface glycoprotein G | Authors: | Fedechkin, S.O, George, N.L, Nunez Castrejon, A.M, Dillen, J, Kauvar, L.M, DuBois, R.M. | Deposit date: | 2019-11-03 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Conformational Flexibility in Respiratory Syncytial Virus G Neutralizing Epitopes. J.Virol., 94, 2020
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5IKU
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![BU of 5iku by Molmil](/molmil-images/mine/5iku) | Crystal structure of the Hathewaya histolytica ColG tandem collagen-binding domain s3as3b in the presence of calcium at 1.9 Angstrom resolution | Descriptor: | CALCIUM ION, Collagenase | Authors: | Janowska, K, Bauer, R, Roeser, R, Sakon, J, Matsushita, O. | Deposit date: | 2016-03-03 | Release date: | 2017-03-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ca2+-induced orientation of tandem collagen binding domains from clostridial collagenase ColG permits two opposing functions of collagen fibril formation and retardation. Febs J., 285, 2018
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5IDZ
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6UP0
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1GY8
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![BU of 1gy8 by Molmil](/molmil-images/mine/1gy8) | Trypanosoma brucei UDP-galactose 4' epimerase | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-GALACTOSE 4-EPIMERASE, URIDINE-5'-DIPHOSPHATE | Authors: | Shaw, M.P, Bond, C.S, Hunter, W.N. | Deposit date: | 2002-04-21 | Release date: | 2003-05-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-Resolution Crystal Structure of Trypanosoma Brucei Udp-Galactose 4'-Epimerase: A Potential Target for Structure-Based Development of Novel Trypanocides Mol.Biochem.Parasitol., 126, 2003
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2V5V
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![BU of 2v5v by Molmil](/molmil-images/mine/2v5v) | W57E Flavodoxin from Anabaena | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN, MAGNESIUM ION | Authors: | Herguedas, B, Martinez-Julvez, M, Perez-Dorado, I, Goni, G, Medina, M, Hermoso, J.A. | Deposit date: | 2007-07-10 | Release date: | 2007-10-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Tuning of the Fmn Binding and Oxido-Reduction Properties by Neighboring Side Chains in Anabaena Flavodoxin. Arch.Biochem.Biophys., 467, 2007
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5I6V
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