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2E1A
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BU of 2e1a by Molmil
crystal structure of FFRP-DM1
Descriptor: 75aa long hypothetical regulatory protein AsnC, SELENOMETHIONINE
Authors:Koike, H, Suzuki, M.
Deposit date:2006-10-19
Release date:2007-09-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Structural Code for Discriminating between Transcription Signals Revealed by the Feast/Famine Regulatory Protein DM1 in Complex with Ligands
Structure, 15, 2007
6CT9
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BU of 6ct9 by Molmil
Structure of the human cGAS-DNA complex
Descriptor: Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*GP*A)-3'), DNA (5'-D(P*CP*GP*TP*CP*TP*TP*CP*GP*GP*CP*AP*AP*T)-3'), ...
Authors:Zhou, W, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Mekalanos, J.J, Kranzusch, P.J.
Deposit date:2018-03-22
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure of the Human cGAS-DNA Complex Reveals Enhanced Control of Immune Surveillance.
Cell, 174, 2018
4DKO
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BU of 4dko by Molmil
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with TS-II-224
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ...
Authors:Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D.
Deposit date:2012-02-03
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors.
J.Med.Chem., 55, 2012
2DY5
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BU of 2dy5 by Molmil
Crystal structure of rat heme oxygenase-1 in complex with heme and 2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolane
Descriptor: 1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-DIOXOLAN-2-YL}METHYL)-1H-IMIDAZOLE, CHLORIDE ION, Heme oxygenase 1, ...
Authors:Sugishima, M, Takahashi, H, Fukuyama, K.
Deposit date:2006-09-06
Release date:2007-05-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray crystallographic and biochemical characterization of the inhibitory action of an imidazole-dioxolane compound on heme oxygenase
Biochemistry, 46, 2007
1BX4
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BU of 1bx4 by Molmil
STRUCTURE OF HUMAN ADENOSINE KINASE AT 1.50 ANGSTROMS
Descriptor: ADENOSINE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Mathews, I.I, Erion, M.D, Ealick, S.E.
Deposit date:1998-10-13
Release date:1999-10-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of human adenosine kinase at 1.5 A resolution.
Biochemistry, 37, 1998
4EKX
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BU of 4ekx by Molmil
Crystal Structure of YLDV 14L IL-18 Binding Protein in Complex with Human IL-18
Descriptor: 14L protein, Interleukin-18
Authors:Krumm, B.E, Xiang, Y, Deng, J.
Deposit date:2012-04-10
Release date:2012-09-26
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A unique bivalent binding and inhibition mechanism by the yatapoxvirus interleukin 18 binding protein.
Plos Pathog., 8, 2012
1LEE
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BU of 1lee by Molmil
CRYSTAL STRUCTURE OF PLASMEPSIN FROM P. FALCIPARUM IN COMPLEX WITH INHIBITOR RS367
Descriptor: 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDE, Plasmepsin 2
Authors:Asojo, O.A, Afonina, E, Gulnik, S.V, Yu, B, Erickson, J.W, Randad, R, Mehadjed, D, Silva, A.M.
Deposit date:2002-04-09
Release date:2002-10-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of Ser205 mutant plasmepsin II from Plasmodium falciparum at 1.8 A in complex with the inhibitors rs367 and rs370.
Acta Crystallogr.,Sect.D, 58, 2002
2BI4
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BU of 2bi4 by Molmil
Lactaldehyde:1,2-propanediol oxidoreductase of Escherichia coli
Descriptor: CHLORIDE ION, FE (III) ION, LACTALDEHYDE REDUCTASE, ...
Authors:Montella, C, Bellsolell, L, Badia, J, Baldoma, L, Perez, R, Coll, M, Aguilar, J.
Deposit date:2005-01-20
Release date:2005-07-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structure of an Iron-Dependent Group III Dehydrogenase that Interconverts L-Lactaldehyde and L-1,2-Propanediol in Escherichia Coli
J.Bacteriol., 187, 2005
2CNC
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BU of 2cnc by Molmil
Family 10 xylanase
Descriptor: CHLORIDE ION, ENDOXYLANASE, MAGNESIUM ION, ...
Authors:Xie, H, Flint, J, Vardakou, M, Lakey, J.H, Lewis, R.J, Gilbert, H.J, Dumon, C.
Deposit date:2006-05-19
Release date:2006-06-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Probing the Structural Basis for the Difference in Thermostability Displayed by Family 10 Xylanases.
J.Mol.Biol., 360, 2006
2E3J
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BU of 2e3j by Molmil
The crystal structure of epoxide hydrolase B (Rv1938) from mycobacterium tuberculosis at 2.1 angstrom
Descriptor: ACETATE ION, EPOXIDE HYDROLASE EPHB
Authors:Biswal, B.K, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2006-11-27
Release date:2007-12-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The molecular structure of epoxide hydrolase B from Mycobacterium tuberculosis and its complex with a urea-based inhibitor.
J.Mol.Biol., 381, 2008
1D9N
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BU of 1d9n by Molmil
SOLUTION STRUCTURE OF THE METHYL-CPG-BINDING DOMAIN OF THE METHYLATION-DEPENDENT TRANSCRIPTIONAL REPRESSOR MBD1/PCM1
Descriptor: METHYL-CPG-BINDING PROTEIN MBD1
Authors:Ohki, I, Shimotake, N, Fujita, N, Nakao, M, Shirakawa, M.
Deposit date:1999-10-28
Release date:2000-10-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the methyl-CpG-binding domain of the methylation-dependent transcriptional repressor MBD1.
EMBO J., 18, 1999
2AT9
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BU of 2at9 by Molmil
STRUCTURE OF BACTERIORHODOPSIN AT 3.0 ANGSTROM BY ELECTRON CRYSTALLOGRAPHY
Descriptor: 3-[[3-METHYLPHOSPHONO-GLYCEROLYL]PHOSPHONYL]-[1,2-DI[2,6,10,14-TETRAMETHYL-HEXADECAN-16-YL]GLYCEROL, BACTERIORHODOPSIN, RETINAL
Authors:Mitsuoka, K, Hirai, T, Murata, K, Miyazawa, A, Kidera, A, Kimura, Y, Fujiyoshi, Y.
Deposit date:1998-12-17
Release date:1999-04-27
Last modified:2024-06-05
Method:ELECTRON CRYSTALLOGRAPHY (3 Å)
Cite:The structure of bacteriorhodopsin at 3.0 A resolution based on electron crystallography: implication of the charge distribution.
J.Mol.Biol., 286, 1999
7U1Y
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BU of 7u1y by Molmil
Structure of SPAC806.04c protein from fission yeast bound to AlF4 and Co2+
Descriptor: COBALT (II) ION, Damage-control phosphatase SPAC806.04c, POTASSIUM ION, ...
Authors:Jacewicz, A, Sanchez, A.M, Shuman, S.
Deposit date:2022-02-22
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
7U1V
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BU of 7u1v by Molmil
Structure of SPAC806.04c protein from fission yeast covalently bound to BeF3
Descriptor: Damage-control phosphatase SPAC806.04c, NICKEL (II) ION, PHOSPHATE ION, ...
Authors:Jacewicz, A, Sanchez, A.M, Shuman, S.
Deposit date:2022-02-22
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
7U1X
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BU of 7u1x by Molmil
Structure of SPAC806.04c protein from fission yeast covalently bound to BeF3
Descriptor: Damage-control phosphatase SPAC806.04c, PHOSPHATE ION, ZINC ION
Authors:Jacewicz, A, Sanchez, A.M, Shuman, S.
Deposit date:2022-02-22
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
2BL4
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BU of 2bl4 by Molmil
Lactaldehyde:1,2-propanediol oxidoreductase of Escherichia coli
Descriptor: CHLORIDE ION, FE (II) ION, LACTALDEHYDE REDUCTASE, ...
Authors:Montella, C, Bellsolell, L, Perez-Luque, R, Badia, J, Baldoma, L, Coll, M, Aguilar, J.
Deposit date:2005-03-01
Release date:2005-07-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structure of an Iron-Dependent Group III Dehydrogenase that Interconverts L-Lactaldehyde and L-1,2-Propanediol in Escherichia Coli.
J.Bacteriol., 187, 2005
2AWU
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BU of 2awu by Molmil
Synapse associated protein 97 PDZ2 domain variant C378G
Descriptor: AHH, Synapse-associated protein 97
Authors:Von Ossowski, I, Oksanen, E, Von Ossowski, L, Cai, C, Sundberg, M, Goldman, A, Keinanen, K.
Deposit date:2005-09-02
Release date:2006-08-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Crystal structure of the second PDZ domain of SAP97 in complex with a GluR-A C-terminal peptide
Febs J., 273, 2006
1LF2
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BU of 1lf2 by Molmil
CRYSTAL STRUCTURE OF PLASMEPSIN II FROM P FALCIPARUM IN COMPLEX WITH INHIBITOR RS370
Descriptor: 3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDE, Plasmepsin 2
Authors:Asojo, O.A, Afonina, E, Gulnik, S.V, Yu, B, Erickson, J.W, Randad, R, Mehadjed, D, Silva, A.M.
Deposit date:2002-04-10
Release date:2002-10-10
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of Ser205 mutant plasmepsin II from Plasmodium falciparum at 1.8 A in complex with the inhibitors rs367 and rs370.
Acta Crystallogr.,Sect.D, 58, 2002
2BBK
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BU of 2bbk by Molmil
CRYSTAL STRUCTURE OF THE QUINOPROTEIN METHYLAMINE DEHYDROGENASE FROM PARACOCCUS DENITRIFICANS AT 1.75 ANGSTROMS
Descriptor: METHYLAMINE DEHYDROGENASE (HEAVY SUBUNIT), METHYLAMINE DEHYDROGENASE (LIGHT SUBUNIT)
Authors:Chen, L, Mathews, F.S.
Deposit date:1993-12-17
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Refined crystal structure of methylamine dehydrogenase from Paracoccus denitrificans at 1.75 A resolution.
J.Mol.Biol., 276, 1998
1B7E
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BU of 1b7e by Molmil
TRANSPOSASE INHIBITOR
Descriptor: 2,2':6',2''-TERPYRIDINE PLATINUM(II) Chloride, PROTEIN (TRANSPOSASE INHIBITOR PROTEIN FROM TN5)
Authors:Davies, D.R, Braam, L.M, Reznikoff, W.S, Rayment, I.
Deposit date:1999-01-22
Release date:1999-04-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The three-dimensional structure of a Tn5 transposase-related protein determined to 2.9A resolution.
J.Biol.Chem., 274, 1999
4DKR
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BU of 4dkr by Molmil
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AWS-I-169
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ...
Authors:Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D.
Deposit date:2012-02-03
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors.
J.Med.Chem., 55, 2012
1D6Z
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BU of 1d6z by Molmil
CRYSTAL STRUCTURE OF THE AEROBICALLY FREEZE TRAPPED RATE-DETERMINING CATALYTIC INTERMEDIATE OF E. COLI COPPER-CONTAINING AMINE OXIDASE.
Descriptor: 2-PHENYLETHYLAMINE, CALCIUM ION, COPPER (II) ION, ...
Authors:Wilmot, C.M, Hajdu, J, McPherson, M.J, Knowles, P.F, Phillips, S.E.V.
Deposit date:1999-10-16
Release date:2000-02-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Visualization of dioxygen bound to copper during enzyme catalysis.
Science, 286, 1999
1D6U
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BU of 1d6u by Molmil
CRYSTAL STRUCTURE OF E. COLI AMINE OXIDASE ANAEROBICALLY REDUCED WITH BETA-PHENYLETHYLAMINE
Descriptor: 2-PHENYLETHYLAMINE, CALCIUM ION, COPPER (II) ION, ...
Authors:Wilmot, C.M, Hajdu, J, McPherson, M.J, Knowles, P.F, Phillips, S.E.V.
Deposit date:1999-10-15
Release date:2000-02-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Visualization of dioxygen bound to copper during enzyme catalysis.
Science, 286, 1999
2E7E
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BU of 2e7e by Molmil
Bent-binding of cyanide to the heme iron in rat heme oxygenase-1
Descriptor: CYANIDE ION, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugishima, M, Fukuyama, K.
Deposit date:2007-01-09
Release date:2007-06-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Alternative cyanide-binding modes to the haem iron in haem oxygenase
Acta Crystallogr.,Sect.F, 63, 2007
7TZJ
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BU of 7tzj by Molmil
SARS CoV-2 PLpro in complex with inhibitor 3k
Descriptor: DIMETHYL SULFOXIDE, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Papain-like protease, ...
Authors:Calleja, D.J, Klemm, T, Lechtenberg, B.C, Kuchel, N.W, Lessene, G, Komander, D.
Deposit date:2022-02-15
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Insights Into Drug Repurposing, as Well as Specificity and Compound Properties of Piperidine-Based SARS-CoV-2 PLpro Inhibitors.
Front Chem, 10, 2022

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