1J3I
 
 | | Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with WR99210, NADPH, and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Yuvaniyama, J, Chitnumsub, P, Kamchonwongpaisan, S, Vanichtanankul, J, Sirawaraporn, W, Taylor, P, Walkinshaw, M, Yuthavong, Y. | | Deposit date: | 2003-02-03 | | Release date: | 2003-05-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Insights into antifolate resistance from malarial DHFR-TS structures.
NAT.STRUCT.BIOL., 10, 2003
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7E8L
 | | The structure of Spodoptera litura chemosensory protein | | Descriptor: | Putative chemosensory protein CSP8 | | Authors: | Xie, W, Jia, Q, Zeng, H, Xiao, N, Tang, J, Gao, S, Zhang, J. | | Deposit date: | 2021-03-02 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Crystal Structure of the Spodoptera litura Chemosensory Protein CSP8.
Insects, 12, 2021
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1J3K
 | | Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with WR99210, NADPH, and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Yuvaniyama, J, Chitnumsub, P, Kamchonwongpaisan, S, Vanichtanankul, J, Sirawaraporn, W, Taylor, P, Walkinshaw, M, Yuthavong, Y. | | Deposit date: | 2003-02-03 | | Release date: | 2003-05-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Insights into antifolate resistance from malarial DHFR-TS structures.
NAT.STRUCT.BIOL., 10, 2003
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1D61
 | | THE STRUCTURE OF THE B-DNA DECAMER C-C-A-A-C-I-T-T-G-G: MONOCLINIC FORM | | Descriptor: | CACODYLATE ION, CALCIUM ION, DNA (5'-D(*CP*CP*AP*AP*CP*IP*TP*TP*GP*G)-3') | | Authors: | Lipanov, A, Kopka, M.L, Kaczor-Grzeskowiak, M, Quintana, J, Dickerson, R.E. | | Deposit date: | 1992-02-26 | | Release date: | 1993-04-15 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure of the B-DNA decamer C-C-A-A-C-I-T-T-G-G in two different space groups: conformational flexibility of B-DNA.
Biochemistry, 32, 1993
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1S22
 | | Absolute Stereochemistry of Ulapualide A | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Allingham, J.S, Tanaka, J, Marriott, G, Rayment, I. | | Deposit date: | 2004-01-07 | | Release date: | 2004-02-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Absolute stereochemistry of ulapualide A
Org.Lett., 6, 2004
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1D60
 | | THE STRUCTURE OF THE B-DNA DECAMER C-C-A-A-C-I-T-T-G-G: TRIGONAL FORM | | Descriptor: | DNA (5'-D(*CP*CP*AP*AP*CP*IP*TP*TP*GP*G)-3'), MAGNESIUM ION | | Authors: | Lipanov, A, Kopka, M.L, Kaczor-Grzeskowiak, M, Quintana, J, Dickerson, R.E. | | Deposit date: | 1992-02-26 | | Release date: | 1993-04-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the B-DNA decamer C-C-A-A-C-I-T-T-G-G in two different space groups: conformational flexibility of B-DNA.
Biochemistry, 32, 1993
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1SQK
 | | CRYSTAL STRUCTURE OF CIBOULOT IN COMPLEX WITH SKELETAL ACTIN | | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Hertzog, M, Van Heijenoort, C, Didry, D, Gaudier, M, Gigant, B, Coutant, J, Didelot, G, Preat, T, Knossow, M, Guittet, E, Carlier, M.F. | | Deposit date: | 2004-03-19 | | Release date: | 2004-06-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The beta-Thymosin/WH2 Domain; Structural Basis for the Switch from Inhibition to Promotion of Actin Assembly
Cell(Cambridge,Mass.), 117, 2004
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1DA3
 | | THE CRYSTAL STRUCTURE OF THE TRIGONAL DECAMER C-G-A-T-C-G-6MEA-T-C-G: A B-DNA HELIX WITH 10.6 BASE-PAIRS PER TURN | | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*GP*AP*TP*CP*GP*(6MA)P*TP*CP*G)-3'), MAGNESIUM ION | | Authors: | Baikalov, I, Grzeskowiak, K, Yanagi, K, Quintana, J, Dickerson, R.E. | | Deposit date: | 1992-11-09 | | Release date: | 1993-04-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of the trigonal decamer C-G-A-T-C-G-6meA-T-C-G: a B-DNA helix with 10.6 base-pairs per turn.
J.Mol.Biol., 231, 1993
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1SGZ
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1J3J
 | | Double mutant (C59R+S108N) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with pyrimethamine, NADPH, and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Yuvaniyama, J, Chitnumsub, P, Kamchonwongpaisan, S, Vanichtanankul, J, Sirawaraporn, W, Taylor, P, Walkinshaw, M, Yuthavong, Y. | | Deposit date: | 2003-02-03 | | Release date: | 2003-05-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Insights into antifolate resistance from malarial DHFR-TS structures.
NAT.STRUCT.BIOL., 10, 2003
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1QZ6
 | | Structure of rabbit actin in complex with jaspisamide A | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Klenchin, V.A, Allingham, J.S, King, R, Tanaka, J, Marriott, G, Rayment, I. | | Deposit date: | 2003-09-15 | | Release date: | 2003-11-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Trisoxazole macrolide toxins mimic the binding of actin-capping proteins to actin
Nat.Struct.Biol., 10, 2003
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1A9M
 | | G48H MUTANT OF HIV-1 PROTEASE IN COMPLEX WITH A PEPTIDIC INHIBITOR U-89360E | | Descriptor: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | | Authors: | Hong, L, Zhang, X.-J, Foundling, S, Hartsuck, J.A, Tang, J. | | Deposit date: | 1998-04-08 | | Release date: | 1998-06-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of a G48H mutant of HIV-1 protease explains how glycine-48 replacements produce mutants resistant to inhibitor drugs.
FEBS Lett., 420, 1997
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1F42
 | | THE P40 DOMAIN OF HUMAN INTERLEUKIN-12 | | Descriptor: | 5-MERCAPTO-2-NITRO-BENZOIC ACID, INTERLEUKIN-12 BETA CHAIN, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Yoon, C, Johnston, S.C, Tang, J, Tobin, J.F, Somers, W.S. | | Deposit date: | 2000-06-07 | | Release date: | 2001-06-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Charged residues dominate a unique interlocking topography in the heterodimeric cytokine interleukin-12.
EMBO J., 19, 2000
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1F45
 | | HUMAN INTERLEUKIN-12 | | Descriptor: | INTERLEUKIN-12 ALPHA CHAIN, INTERLEUKIN-12 BETA CHAIN, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Yoon, C, Johnston, S.C, Tang, J, Tobin, J.F, Somers, W.S. | | Deposit date: | 2000-06-07 | | Release date: | 2001-06-20 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Charged residues dominate a unique interlocking topography in the heterodimeric cytokine interleukin-12.
EMBO J., 19, 2000
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4GID
 | | Structure of beta-secretase complexed with inhibitor | | Descriptor: | Beta-secretase 1, L-PROLINAMIDE, N-[(2S)-1-({(2S,3R)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | Authors: | Ghosh, A, Tang, J, Venkateswara, R.K, Yadav, N, Anderson, D, Gavande, N, Huang, X, Terzyan, S. | | Deposit date: | 2012-08-08 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of highly selective beta-secretase inhibitors: synthesis, biological evaluation, and protein-ligand X-ray crystal structure.
J.Med.Chem., 55, 2012
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1GNO
 | | HIV-1 PROTEASE (WILD TYPE) COMPLEXED WITH U89360E (INHIBITOR) | | Descriptor: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | | Authors: | Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J. | | Deposit date: | 1996-05-04 | | Release date: | 1996-11-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases.
Biochemistry, 35, 1996
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1GNN
 | | HIV-1 PROTEASE MUTANT WITH VAL 82 REPLACED BY ASN (V82N) COMPLEXED WITH U89360E (INHIBITOR) | | Descriptor: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | | Authors: | Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J. | | Deposit date: | 1996-05-04 | | Release date: | 1996-11-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases.
Biochemistry, 35, 1996
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1GNM
 | | HIV-1 PROTEASE MUTANT WITH VAL 82 REPLACED BY ASP (V82D) COMPLEXED WITH U89360E (INHIBITOR) | | Descriptor: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | | Authors: | Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J. | | Deposit date: | 1996-05-04 | | Release date: | 1996-11-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases.
Biochemistry, 35, 1996
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2M3W
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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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1IEH
 | | SOLUTION STRUCTURE OF A SOLUBLE SINGLE-DOMAIN ANTIBODY WITH HYDROPHOBIC RESIDUES TYPICAL OF A VL/VH INTERFACE | | Descriptor: | BRUC.D4.4 | | Authors: | Vranken, W, Tolkatchev, D, Xu, P, Tanha, J, Chen, Z, Narang, S, Ni, F. | | Deposit date: | 2001-04-09 | | Release date: | 2002-08-07 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a llama single-domain antibody with hydrophobic residues typical of the VH/VL interface.
Biochemistry, 41, 2002
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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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1FKN
 | | Structure of Beta-Secretase Complexed with Inhibitor | | Descriptor: | MEMAPSIN 2, inhibitor | | Authors: | Hong, L, Koelsch, G, Lin, X, Wu, S, Terzyan, S, Ghosh, A, Zhang, X.C, Tang, J. | | Deposit date: | 2000-08-09 | | Release date: | 2000-10-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the protease domain of memapsin 2 (beta-secretase) complexed with inhibitor.
Science, 290, 2000
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1FB7
 | | CRYSTAL STRUCTURE OF AN IN VIVO HIV-1 PROTEASE MUTANT IN COMPLEX WITH SAQUINAVIR: INSIGHTS INTO THE MECHANISMS OF DRUG RESISTANCE | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, HIV-1 PROTEASE | | Authors: | Hong, L, Zhang, X.C, Hartsuck, J.A, Tang, J. | | Deposit date: | 2000-07-14 | | Release date: | 2000-12-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of an in vivo HIV-1 protease mutant in complex with saquinavir: insights into the mechanisms of drug resistance.
Protein Sci., 9, 2000
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3W6I
 | | Crystal structure of 19F probe-labeled hCAI | | Descriptor: | 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene, Carbonic anhydrase 1, ZINC ION | | Authors: | Takaoka, Y, Kioi, Y, Morito, A, Otani, J, Arita, K, Ashihara, E, Ariyoshi, M, Tochio, H, Shirakawa, M, Hamachi, I. | | Deposit date: | 2013-02-14 | | Release date: | 2013-03-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.693 Å) | | Cite: | Quantitative Comparison of Protein Dynamics in Live Cells and In Vitro by In-Cell 19F-NMR
To be published
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