5GGT
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![BU of 5ggt by Molmil](/molmil-images/mine/5ggt) | PD-L1 in complex with BMS-936559 Fab | Descriptor: | IGK@ protein, IgG H chain, Programmed cell death 1 ligand 1 | Authors: | Heo, Y.S. | Deposit date: | 2016-06-16 | Release date: | 2016-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of checkpoint blockade by monoclonal antibodies in cancer immunotherapy Nat Commun, 7, 2016
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1S01
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![BU of 1s01 by Molmil](/molmil-images/mine/1s01) | |
6YUG
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![BU of 6yug by Molmil](/molmil-images/mine/6yug) | Crystal structure of C. parvum GNA1 in complex with acetyl-CoA and glucose 6P. | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, Diamine acetyltransferase | Authors: | Chi, J, Cova, M, de las Rivas, M, Medina, A, Borges, R, Leivar, P, Planas, A, Uson, I, Hurtado-Guerrero, R, Izquierdo, L. | Deposit date: | 2020-04-27 | Release date: | 2020-09-30 | Last modified: | 2020-11-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Plasmodium falciparum Apicomplexan-Specific Glucosamine-6-Phosphate N -Acetyltransferase Is Key for Amino Sugar Metabolism and Asexual Blood Stage Development. Mbio, 11, 2020
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7OZU
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![BU of 7ozu by Molmil](/molmil-images/mine/7ozu) | SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with A | Descriptor: | Non-structural protein 7, Non-structural protein 8, Product RNA, ... | Authors: | Kabinger, F, Stiller, C, Schmitzova, J, Dienemann, C, Kokic, G, Hillen, H.S, Hoebartner, C, Cramer, P. | Deposit date: | 2021-06-28 | Release date: | 2021-08-18 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Mechanism of molnupiravir-induced SARS-CoV-2 mutagenesis. Nat.Struct.Mol.Biol., 28, 2021
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7OUG
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![BU of 7oug by Molmil](/molmil-images/mine/7oug) | STLV-1 intasome:B56 in complex with the strand-transfer inhibitor raltegravir | Descriptor: | DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), Integrase, ... | Authors: | Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N. | Deposit date: | 2021-06-11 | Release date: | 2021-08-18 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures. Nat Commun, 12, 2021
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1RWP
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![BU of 1rwp by Molmil](/molmil-images/mine/1rwp) | |
7OUH
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![BU of 7ouh by Molmil](/molmil-images/mine/7ouh) | Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor bictegravir | Descriptor: | Bictegravir, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ... | Authors: | Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N. | Deposit date: | 2021-06-11 | Release date: | 2021-08-18 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures. Nat Commun, 12, 2021
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7OUF
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![BU of 7ouf by Molmil](/molmil-images/mine/7ouf) | Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor XZ450 | Descriptor: | 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ... | Authors: | Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N. | Deposit date: | 2021-06-11 | Release date: | 2021-08-18 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures. Nat Commun, 12, 2021
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7OVW
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![BU of 7ovw by Molmil](/molmil-images/mine/7ovw) | Binding domain of botulinum neurotoxin E in complex with GD1a | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Neurotoxin type E | Authors: | Masuyer, G, Stenmark, P. | Deposit date: | 2021-06-15 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanism of Ganglioside Receptor Recognition by Botulinum Neurotoxin Serotype E. Int J Mol Sci, 22, 2021
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2C7W
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![BU of 2c7w by Molmil](/molmil-images/mine/2c7w) | Crystal Structure of human vascular endothelial growth factor-B: Identification of amino acids important for angiogeninc activity | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, VASCULAR ENDOTHELIAL GROWTH FACTOR B PRECURSOR | Authors: | Iyer, S, Scotney, P.D, Nash, A.D, Acharya, K.R. | Deposit date: | 2005-11-29 | Release date: | 2007-01-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal Structure of Human Vascular Endothelial Growth Factor-B: Identification of Amino Acids Important for Receptor Binding J.Mol.Biol., 359, 2006
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7OY4
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![BU of 7oy4 by Molmil](/molmil-images/mine/7oy4) | VDR complex of a side-chain hydroxylated derivatives of lithocholic acid | Descriptor: | (3S,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N. | Deposit date: | 2021-06-23 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, synthesis and evaluation of side-chain hydroxylated derivatives of lithocholic acid as potent agonists of the vitamin D receptor (VDR). Bioorg.Chem., 115, 2021
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7OXZ
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![BU of 7oxz by Molmil](/molmil-images/mine/7oxz) | VDR complex with a side-chain hydroxylated derivative of lithocholic acid | Descriptor: | (3R,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N. | Deposit date: | 2021-06-23 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design, synthesis and evaluation of side-chain hydroxylated derivatives of lithocholic acid as potent agonists of the vitamin D receptor (VDR). Bioorg.Chem., 115, 2021
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2C6W
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![BU of 2c6w by Molmil](/molmil-images/mine/2c6w) | PENICILLIN-BINDING PROTEIN 1A (PBP-1A) FROM STREPTOCOCCUS PNEUMONIAE | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1A, ZINC ION | Authors: | Contreras-Martel, C, Job, V, Di Guilmi, A.-M, Vernet, T, Dideberg, O, Dessen, A. | Deposit date: | 2005-11-14 | Release date: | 2005-12-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal Structure of Penicillin-Binding Protein 1A (Pbp1A) Reveals a Mutational Hotspot Implicated in Beta-Lactam Resistance in Streptococcus Pneumoniae. J.Mol.Biol., 355, 2006
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1SA8
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![BU of 1sa8 by Molmil](/molmil-images/mine/1sa8) | |
2CCD
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![BU of 2ccd by Molmil](/molmil-images/mine/2ccd) | |
8AN3
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![BU of 8an3 by Molmil](/molmil-images/mine/8an3) | S-layer protein SlaA from Sulfolobus acidocaldarius at pH 7.0 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-deoxy-6-sulfo-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gambelli, L, Isupov, M.N, Daum, B. | Deposit date: | 2022-08-04 | Release date: | 2023-08-16 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure of the two-component S-layer of the archaeon Sulfolobus acidocaldarius. Elife, 13, 2024
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2CI5
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![BU of 2ci5 by Molmil](/molmil-images/mine/2ci5) | Crystal structure of Dimethylarginine Dimethylaminohydrolase I in complex with L-homocysteine | Descriptor: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, CITRIC ACID, NG, ... | Authors: | Frey, D, Braun, O, Briand, C, Vasak, M, Grutter, M.G. | Deposit date: | 2006-03-17 | Release date: | 2006-05-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structure of the Mammalian Nos Regulator Dimethylarginine Dimethylaminohydrolase: A Basis for the Design of Specific Inbitors Structure, 14, 2006
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2CIG
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![BU of 2cig by Molmil](/molmil-images/mine/2cig) | Dihydrofolate reductase from Mycobacterium tuberculosis inhibited by the acyclic 4R isomer of INH-NADP a derivative of the prodrug isoniazid. | Descriptor: | (4R)-ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ... | Authors: | Argyrou, A, Vetting, M.W, Aladegbami, B, Blanchard, J.S. | Deposit date: | 2006-03-20 | Release date: | 2006-04-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mycobacterium Tuberculosis Dihydrofolate Reductase is a Target for Isoniazid Nat.Struct.Mol.Biol., 13, 2006
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2CI1
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![BU of 2ci1 by Molmil](/molmil-images/mine/2ci1) | Crystal Structure of dimethylarginine dimethylaminohydrolase I in complex with S-nitroso-Lhomocysteine | Descriptor: | CITRIC ACID, NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1 | Authors: | Frey, D, Braun, O, Briand, C, Vasak, M, Grutter, M.G. | Deposit date: | 2006-03-17 | Release date: | 2006-05-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Structure of the Mammalian Nos Regulator Dimethylarginine Dimethylaminohydrolase: A Basis for the Design of Specific Inhibitors. Structure, 14, 2006
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8ALU
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![BU of 8alu by Molmil](/molmil-images/mine/8alu) | Crystal structure of the teichoic acid binding domain of SlpA, S-layer protein from Lactobacillus acidophilus (aa. 314-444) | Descriptor: | PHOSPHATE ION, S-layer protein | Authors: | Eder, M, Dordic, A, Sagmeister, T, Vejzovic, D, Pavkov-Keller, T. | Deposit date: | 2022-08-01 | Release date: | 2023-08-16 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids. Proc.Natl.Acad.Sci.USA, 121, 2024
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2CHZ
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![BU of 2chz by Molmil](/molmil-images/mine/2chz) | A pharmacological map of the PI3-K family defines a role for p110alpha in signaling: The structure of complex of phosphoinositide 3-kinase gamma with inhibitor PIK-93 | Descriptor: | N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | Authors: | Knight, Z.A, Gonzalez, B, Feldman, M.E, Zunder, E.R, Goldenberg, D.D, Williams, O, Loewith, R, Stokoe, D, Balla, A, Toth, B, Balla, T, Weiss, W.A, Williams, R.L, Shokat, K.M. | Deposit date: | 2006-03-16 | Release date: | 2006-05-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A Pharmacological Map of the Pi3-K Family Defines a Role for P110Alpha in Signaling Cell(Cambridge,Mass.), 125, 2006
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1C4E
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![BU of 1c4e by Molmil](/molmil-images/mine/1c4e) | |
1TV4
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![BU of 1tv4 by Molmil](/molmil-images/mine/1tv4) | Crystal structure of the sulfite MtmB complex | Descriptor: | 3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID, Monomethylamine methyltransferase mtmB1, SULFATE ION | Authors: | Hao, B, Zhao, G, Kang, P.T, Soares, J.A, Ferguson, T.K, Gallucci, J, Krzycki, J.A, Chan, M.K. | Deposit date: | 2004-06-26 | Release date: | 2004-10-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Reactivity and chemical synthesis of L-pyrrolysine- the 22(nd) genetically encoded amino acid Chem.Biol., 11, 2004
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8ALX
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![BU of 8alx by Molmil](/molmil-images/mine/8alx) | Structure of human PD-L1 in complex with inhibitor | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, AMINOMETHYLAMIDE, ACETATE ION, ... | Authors: | Rodriguez, I, Grudnik, P, Holak, T, Magiera-Mularz, K. | Deposit date: | 2022-08-01 | Release date: | 2023-08-16 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural and biological characterization of pAC65, a macrocyclic peptide that blocks PD-L1 with equivalent potency to the FDA-approved antibodies. Mol Cancer, 22, 2023
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2CL6
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![BU of 2cl6 by Molmil](/molmil-images/mine/2cl6) | CRYSTAL STRUCTURE ANALYSIS OF A FLUORESCENT FORM OF H-RAS P21 IN COMPLEX WITH S-caged GTP | Descriptor: | GTPASE HRAS, GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER], MAGNESIUM ION, ... | Authors: | Klink, B.U, Goody, R.S, Scheidig, A.J. | Deposit date: | 2006-04-26 | Release date: | 2006-05-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | A Newly Designed Microspectrofluorometer for Kinetic Studies on Protein Crystals in Combination with X-Ray Diffraction. Biophys.J., 91, 2006
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