4IIE
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![BU of 4iie by Molmil](/molmil-images/mine/4iie) | Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with calystegine B(2) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. | Deposit date: | 2012-12-20 | Release date: | 2013-04-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus Biochem.J., 452, 2013
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4IIF
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![BU of 4iif by Molmil](/molmil-images/mine/4iif) | Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with castanospermine | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. | Deposit date: | 2012-12-20 | Release date: | 2013-04-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus Biochem.J., 452, 2013
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4DPH
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![BU of 4dph by Molmil](/molmil-images/mine/4dph) | Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with P65 and NADPH | Descriptor: | 2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine, BETA-MERCAPTOETHANOL, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | Deposit date: | 2012-02-13 | Release date: | 2012-11-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target Proc.Natl.Acad.Sci.USA, 109, 2012
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4DP3
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![BU of 4dp3 by Molmil](/molmil-images/mine/4dp3) | Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with P218 and NADPH | Descriptor: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | Deposit date: | 2012-02-13 | Release date: | 2012-11-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target Proc.Natl.Acad.Sci.USA, 109, 2012
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3ETA
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![BU of 3eta by Molmil](/molmil-images/mine/3eta) | Kinase domain of insulin receptor complexed with a pyrrolo pyridine inhibitor | Descriptor: | 1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea, insulin receptor, kinase domain | Authors: | Patnaik, S, Stevens, K, Gerding, R, Deanda, F, Shotwell, B, Tang, J, Hamajima, T, Nakamura, H, Leesnitzer, A, Hassell, A, Shewchuk, L, Kumar, R, Lei, H, Chamberlain, S. | Deposit date: | 2008-10-07 | Release date: | 2009-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of 3,5-disubstituted-1H-pyrrolo[2,3-b]pyridines as potent inhibitors of the insulin-like growth factor-1 receptor (IGF-1R) tyrosine kinase. Bioorg.Med.Chem.Lett., 19, 2009
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4IIH
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![BU of 4iih by Molmil](/molmil-images/mine/4iih) | Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with thiocellobiose | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. | Deposit date: | 2012-12-20 | Release date: | 2013-04-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus Biochem.J., 452, 2013
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4IIB
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![BU of 4iib by Molmil](/molmil-images/mine/4iib) | Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. | Deposit date: | 2012-12-20 | Release date: | 2013-04-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus Biochem.J., 452, 2013
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4IID
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![BU of 4iid by Molmil](/molmil-images/mine/4iid) | Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with 1-deoxynojirimycin | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-DEOXYNOJIRIMYCIN, ... | Authors: | Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. | Deposit date: | 2012-12-20 | Release date: | 2013-04-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus Biochem.J., 452, 2013
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4IIG
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![BU of 4iig by Molmil](/molmil-images/mine/4iig) | Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with D-glucose | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. | Deposit date: | 2012-12-20 | Release date: | 2013-04-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus Biochem.J., 452, 2013
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1DDJ
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![BU of 1ddj by Molmil](/molmil-images/mine/1ddj) | CRYSTAL STRUCTURE OF HUMAN PLASMINOGEN CATALYTIC DOMAIN | Descriptor: | PLASMINOGEN | Authors: | Wang, X, Terzyan, S, Tang, J, Loy, J, Lin, X, Zhang, X. | Deposit date: | 1999-11-10 | Release date: | 2000-02-18 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human plasminogen catalytic domain undergoes an unusual conformational change upon activation. J.Mol.Biol., 295, 2000
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3QJZ
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![BU of 3qjz by Molmil](/molmil-images/mine/3qjz) | Crystal structure of PI3K-gamma in complex with benzothiazole 1 | Descriptor: | N-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2011-01-31 | Release date: | 2011-03-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors. J.Med.Chem., 54, 2011
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3QYC
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![BU of 3qyc by Molmil](/molmil-images/mine/3qyc) | Structure of a dimeric anti-HER2 single domain antibody | Descriptor: | VH domain of IgG molecule | Authors: | Baral, T.N, Chao, S, Li, S, Tanha, J, Arbabai, M, Wang, S, Zhang, J. | Deposit date: | 2011-03-03 | Release date: | 2012-02-08 | Last modified: | 2014-02-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of a Human Single Domain Antibody Dimer Formed through V(H)-V(H) Non-Covalent Interactions. Plos One, 7, 2012
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3QK0
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![BU of 3qk0 by Molmil](/molmil-images/mine/3qk0) | Crystal structure of PI3K-gamma in complex with benzothiazole 82 | Descriptor: | N-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2011-01-31 | Release date: | 2011-03-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors. J.Med.Chem., 54, 2011
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2RU8
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![BU of 2ru8 by Molmil](/molmil-images/mine/2ru8) | DnaT C-terminal domain | Descriptor: | Primosomal protein 1 | Authors: | Abe, Y, Tani, J, Fujiyama, S, Urabe, M, Sato, K, Aramaki, T, Katayama, T, Ueda, T. | Deposit date: | 2014-01-29 | Release date: | 2014-10-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and mechanism of the primosome protein DnaT-functional structures for homotrimerization, dissociation of ssDNA from the PriB·ssDNA complex, and formation of the DnaT·ssDNA complex. Febs J., 281, 2014
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4C5W
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![BU of 4c5w by Molmil](/molmil-images/mine/4c5w) | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 4-(Ethyldimethylammonio)butanoate | Descriptor: | GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, N-OXALYLGLYCINE, ... | Authors: | Tars, K, Leitans, J, Kazaks, A. | Deposit date: | 2013-09-16 | Release date: | 2014-03-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase. J.Med.Chem., 57, 2014
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2NAR
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![BU of 2nar by Molmil](/molmil-images/mine/2nar) | Solution structure of AVR3a_60-147 from Phytophthora infestans | Descriptor: | Effector protein Avr3a | Authors: | Matena, A, Bayer, P, Zhukov, I, Stanek, J, Kozminski, W, van West, P, Wawra, S. | Deposit date: | 2016-01-08 | Release date: | 2017-01-11 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The RxLR Motif of the Host Targeting Effector AVR3a ofPhytophthora infestansIs Cleaved before Secretion. Plant Cell, 29, 2017
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2MOQ
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![BU of 2moq by Molmil](/molmil-images/mine/2moq) | Solution Structure and Molecular determinants of Hemoglobin Binding of the first NEAT Domain of IsdB in Staphylococcus aureus | Descriptor: | Iron-regulated surface determinant protein B | Authors: | Fonner, B.A, Tripet, B.P, Eilers, B.J, Stanisich, J, Sullivan-Springhetti, R.K, Moore, R, Lui, M, Lei, B, Copie, V. | Deposit date: | 2014-04-29 | Release date: | 2014-07-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure and Molecular Determinants of Hemoglobin Binding of the First NEAT Domain of IsdB in Staphylococcus aureus. Biochemistry, 53, 2014
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2P4J
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![BU of 2p4j by Molmil](/molmil-images/mine/2p4j) | Crystal structure of beta-secretase bond to an inhibitor with Isophthalamide Derivatives at P2-P3 | Descriptor: | Beta-secretase 1, N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-2-METHYLPROPYL}AMINO)-4-METHYL-5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | Authors: | Hong, L, Ghosh, A.K, Tang, J. | Deposit date: | 2007-03-12 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands. J.Med.Chem., 50, 2007
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5EN0
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![BU of 5en0 by Molmil](/molmil-images/mine/5en0) | Crystal Structure of T94I rhodopsin mutant | Descriptor: | ACETATE ION, Guanine nucleotide-binding protein G(t) subunit alpha-3, PALMITIC ACID, ... | Authors: | Singhal, A, Guo, Y, Matkovic, M, Schertler, G, Deupi, X, Yan, E, Standfuss, J. | Deposit date: | 2015-11-08 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structural role of the T94I rhodopsin mutation in congenital stationary night blindness. Embo Rep., 17, 2016
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1AXA
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![BU of 1axa by Molmil](/molmil-images/mine/1axa) | ACTIVE-SITE MOBILITY IN HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE AS DEMONSTRATED BY CRYSTAL STRUCTURE OF A28S MUTANT | Descriptor: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | Authors: | Hong, L, Hartsuck, J.A, Foundling, S, Ermolieff, J, Tang, J. | Deposit date: | 1997-10-13 | Release date: | 1998-04-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Active-site mobility in human immunodeficiency virus, type 1, protease as demonstrated by crystal structure of A28S mutant. Protein Sci., 7, 1998
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1MUX
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![BU of 1mux by Molmil](/molmil-images/mine/1mux) | SOLUTION NMR STRUCTURE OF CALMODULIN/W-7 COMPLEX: THE BASIS OF DIVERSITY IN MOLECULAR RECOGNITION, 30 STRUCTURES | Descriptor: | CALCIUM ION, CALMODULIN, N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE | Authors: | Osawa, M, Swindells, M.B, Tanikawa, J, Tanaka, T, Mase, T, Furuya, T, Ikura, M. | Deposit date: | 1997-09-06 | Release date: | 1998-10-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of calmodulin-W-7 complex: the basis of diversity in molecular recognition. J.Mol.Biol., 276, 1998
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1M1C
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![BU of 1m1c by Molmil](/molmil-images/mine/1m1c) | Structure of the L-A virus | Descriptor: | Major coat protein | Authors: | Naitow, H, Tang, J, Canady, M, Wickner, R.B, Johnson, J.E. | Deposit date: | 2002-06-18 | Release date: | 2002-10-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | L-A virus at 3.4 A resolution reveals particle architecture and mRNA decapping mechanism. Nat.Struct.Biol., 9, 2002
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1CJY
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![BU of 1cjy by Molmil](/molmil-images/mine/1cjy) | HUMAN CYTOSOLIC PHOSPHOLIPASE A2 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, PROTEIN (CYTOSOLIC PHOSPHOLIPASE A2) | Authors: | Dessen, A, Tang, J, Schmidt, H, Stahl, M, Clark, J.D, Seehra, J, Somers, W.S. | Deposit date: | 1999-04-20 | Release date: | 2000-04-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human cytosolic phospholipase A2 reveals a novel topology and catalytic mechanism. Cell(Cambridge,Mass.), 97, 1999
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2HYY
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![BU of 2hyy by Molmil](/molmil-images/mine/2hyy) | Human Abl kinase domain in complex with imatinib (STI571, Glivec) | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | Deposit date: | 2006-08-08 | Release date: | 2007-01-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia. ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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2HZ4
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![BU of 2hz4 by Molmil](/molmil-images/mine/2hz4) | Abl kinase domain unligated and in complex with tetrahydrostaurosporine | Descriptor: | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | Deposit date: | 2006-08-08 | Release date: | 2007-01-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia. ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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