7LKQ
 
 | | The PilZ(delta107-117)-FimX(GGDEF-EAL) complex from Xanthomonas citri | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), FimX(GGDEF-EAL), MAGNESIUM ION, ... | | Authors: | Llontop, E.E, Guzzo, C.R, Farah, C.S. | | Deposit date: | 2021-02-02 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | The PilB-PilZ-FimX regulatory complex of the Type IV pilus from Xanthomonas citri.
Plos Pathog., 17, 2021
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7LKO
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7LKN
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7LKM
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7LZ3
 | | Computational design of constitutively active cGAS | | Descriptor: | Cyclic GMP-AMP synthase, GLYCEROL, ZINC ION | | Authors: | Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P. | | Deposit date: | 2021-03-08 | | Release date: | 2022-03-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Computational design of constitutively active cGAS.
Nat.Struct.Mol.Biol., 30, 2023
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7LYX
 | | Crystal structure of human CYP8B1 in complex with (S)-tioconazole | | Descriptor: | (S)-Tioconazole, 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase, GLYCEROL, ... | | Authors: | Liu, J, Scott, E.E. | | Deposit date: | 2021-03-08 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structure and characterization of human cytochrome P450 8B1 supports future drug design for nonalcoholic fatty liver disease and diabetes.
J.Biol.Chem., 298, 2022
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7LU8
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7M8I
 | | Human CYP11B2 and human adrenodoxin in complex with fadrozole | | Descriptor: | 4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Adrenodoxin, Cytochrome P450 11B2, ... | | Authors: | Scott, E.E, Brixius-Anderko, S. | | Deposit date: | 2021-03-29 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Structural and functional insights into aldosterone synthase interaction with its redox partner protein adrenodoxin.
J.Biol.Chem., 296, 2021
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7M8V
 | | Human CYP11B2 in complex with LCI699 | | Descriptor: | 4-[(4R,5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile, Cytochrome P450 11B2, mitochondrial, ... | | Authors: | Scott, E.E, Brixius-Anderko, S. | | Deposit date: | 2021-03-30 | | Release date: | 2021-06-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Aldosterone Synthase Structure With Cushing Disease Drug LCI699 Highlights Avenues for Selective CYP11B Drug Design.
Hypertension, 78, 2021
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7M8H
 | | Structure of Memo1 C244S metal binding site mutant at 1.75A | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Boniecki, M.T, Uhlemann, E.E, Dmitriev, O.Y. | | Deposit date: | 2021-03-29 | | Release date: | 2022-04-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | MEMO1 binds iron and modulates iron homeostasis in cancer cells.
Elife, 13, 2024
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7N9U
 | | CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions | | Descriptor: | Capsid protein, Nanobody | | Authors: | Gerber, E.E, Digianantonio, K.M, Tripler, T.N, Smaga, S.S, Summers, B.J, Xiong, Y. | | Deposit date: | 2021-06-18 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions
To Be Published
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7N9X
 | | CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions | | Descriptor: | Capsid protein, Nanobody, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Gerber, E.E, Digianantonio, K.M, Tripler, T.N, Smaga, S.S, Summers, B.J, Xiong, Y. | | Deposit date: | 2021-06-18 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.511 Å) | | Cite: | CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions
To Be Published
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1AID
 | | STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN | | Descriptor: | 4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL, CHLORIDE ION, HUMAN IMMUNODEFICIENCY VIRUS PROTEASE | | Authors: | Rutenber, E.E, Fauman, E.B, Keenan, R.J, Stroud, R.M. | | Deposit date: | 1997-04-16 | | Release date: | 1997-10-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of a non-peptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design.
J.Biol.Chem., 268, 1993
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1CMY
 | | THE MUTATION BETA99 ASP-TYR STABILIZES Y-A NEW, COMPOSITE QUATERNARY STATE OF HUMAN HEMOGLOBIN | | Descriptor: | HEMOGLOBIN YPSILANTI (CARBONMONOXY) (ALPHA CHAIN), HEMOGLOBIN YPSILANTI (CARBONMONOXY) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Smith, F.R, Lattman, E.E, Carter Junior, C.W. | | Deposit date: | 1992-09-18 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The mutation beta 99 Asp-Tyr stabilizes Y--a new, composite quaternary state of human hemoglobin.
Proteins, 10, 1991
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1BQ1
 | | E. COLI THYMIDYLATE SYNTHASE MUTANT N177A IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Reyes, C.L, Sage, C.R, Rutenber, E.E, Finer-Moore, J.S, Stroud, R.M. | | Deposit date: | 1998-08-20 | | Release date: | 1999-05-18 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Inactivity of N229A thymidylate synthase due to water-mediated effects: isolating a late stage in methyl transfer.
J.Mol.Biol., 284, 1998
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1CVX
 | | CRYSTAL STRUCTURE OF POLYAMIDE DIMER (IMPYHPPYBETADP)2 BOUND TO B-DNA DECAMER CCAGATCTGG | | Descriptor: | 5'-D(*CP*CP*AP*GP*AP*TP*CP*TP*GP*G)-3', HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POLYAMIDE | | Authors: | Kielkopf, C.L, Bremer, R.E, White, S, Baird, E.E, Dervan, P.B, Rees, D.C. | | Deposit date: | 1999-08-24 | | Release date: | 2000-01-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structural effects of DNA sequence on T.A recognition by hydroxypyrrole/pyrrole pairs in the minor groove.
J.Mol.Biol., 295, 2000
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1ENA
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1CVY
 | | CRYSTAL STRUCTURE OF POLYAMIDE DIMER (IMPYPYPYBETADP)2 BOUND TO CCAGATCTGG | | Descriptor: | 5'-D(*CP*CP*AP*GP*AP*TP*CP*TP*GP*G)-3', IMIDAZOLE-PYRROLE POLYAMIDE | | Authors: | Kielkopf, C.L, Bremer, R.E, White, S, Baird, E.E, Dervan, P.B, Rees, D.C. | | Deposit date: | 1999-08-24 | | Release date: | 2000-01-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural effects of DNA sequence on T.A recognition by hydroxypyrrole/pyrrole pairs in the minor groove.
J.Mol.Biol., 295, 2000
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1BQ2
 | | E. COLI THYMIDYLATE SYNTHASE MUTANT N177A | | Descriptor: | PHOSPHATE ION, THYMIDYLATE SYNTHASE | | Authors: | Reyes, C.L, Sage, C.R, Rutenber, E.E, Finer-Moore, J.S, Stroud, R.M. | | Deposit date: | 1998-08-20 | | Release date: | 1999-04-27 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inactivity of N229A thymidylate synthase due to water-mediated effects: isolating a late stage in methyl transfer.
J.Mol.Biol., 284, 1998
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1ENC
 | | CRYSTAL STRUCTURES OF THE BINARY CA2+ AND PDTP COMPLEXES AND THE TERNARY COMPLEX OF THE ASP 21->GLU MUTANT OF STAPHYLOCOCCAL NUCLEASE. IMPLICATIONS FOR CATALYSIS AND LIGAND BINDING | | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | | Authors: | Libson, A, Gittis, A, Lattman, E.E. | | Deposit date: | 1994-02-14 | | Release date: | 1994-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of the binary Ca2+ and pdTp complexes and the ternary complex of the Asp21-->Glu mutant of staphylococcal nuclease. Implications for catalysis and ligand binding.
Biochemistry, 33, 1994
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1QZM
 | | alpha-domain of ATPase | | Descriptor: | ATP-dependent protease La | | Authors: | Botos, I, Melnikov, E.E, Cherry, S, Khalatova, A.G, Rasulova, F.S, Tropea, J.E, Maurizi, M.R, Rotanova, T.V, Gustchina, A, Wlodawer, A. | | Deposit date: | 2003-09-17 | | Release date: | 2004-05-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the AAA+ alpha domain of E. coli Lon protease at 1.9A resolution.
J.Struct.Biol., 146
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1RRE
 | | Crystal structure of E.coli Lon proteolytic domain | | Descriptor: | ATP-dependent protease La, SULFATE ION | | Authors: | Botos, I, Melnikov, E.E, Cherry, S, Tropea, J.E, Khalatova, A.G, Rasulova, F, Dauter, Z, Maurizi, M.R, Rotanova, T.V, Wlodawer, A, Gustchina, A. | | Deposit date: | 2003-12-08 | | Release date: | 2004-02-03 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The catalytic domain of Escherichia coli Lon protease has a unique fold and a Ser-Lys dyad in the active site
J.Biol.Chem., 279, 2004
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1QQP
 | | FOOT-AND-MOUTH DISEASE VIRUS/ OLIGOSACCHARIDE RECEPTOR COMPLEX. | | Descriptor: | 2-O-sulfo-alpha-L-gulopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-gulopyranuronic acid, PROTEIN (GENOME POLYPROTEIN) | | Authors: | Fry, E.E, Lea, S.M, Jackson, T, Newman, J.W.I, Ellard, F.M, Blakemore, W.E, Abu-Ghazaleh, R, Samuel, A, King, A.M.Q, Stuart, D.I. | | Deposit date: | 1999-05-20 | | Release date: | 1999-06-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structure and function of a foot-and-mouth disease virus-oligosaccharide receptor complex.
EMBO J., 18, 1999
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1P9M
 | | Crystal structure of the hexameric human IL-6/IL-6 alpha receptor/gp130 complex | | Descriptor: | Interleukin-6, Interleukin-6 receptor alpha chain, Interleukin-6 receptor beta chain | | Authors: | Boulanger, M.J, Chow, D.C, Brevnova, E.E, Garcia, K.C. | | Deposit date: | 2003-05-12 | | Release date: | 2003-07-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | Hexameric Structure and Assembly of the Interleukin-6/IL-6 alpha-Receptor/gp130 Complex
Science, 300, 2003
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1RNU
 | | REFINEMENT OF THE CRYSTAL STRUCTURE OF RIBONUCLEASE S. COMPARISON WITH AND BETWEEN THE VARIOUS RIBONUCLEASE A STRUCTURES | | Descriptor: | RIBONUCLEASE S, SULFATE ION | | Authors: | Kim, E.E, Varadarajan, R, Wyckoff, H.W, Richards, F.M. | | Deposit date: | 1992-02-19 | | Release date: | 1994-01-31 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Refinement of the crystal structure of ribonuclease S. Comparison with and between the various ribonuclease A structures.
Biochemistry, 31, 1992
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