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1YS6
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BU of 1ys6 by Molmil
Crystal structure of the response regulatory protein PrrA from Mycobacterium Tuberculosis
Descriptor: CALCIUM ION, GLYCEROL, Transcriptional regulatory protein prrA
Authors:Nowak, E, Panjikar, S, Tucker, P, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2005-02-07
Release date:2006-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of the response regulatory protein PrrA from Mycobacterium Tuberculosis
To be published
1HHY
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BU of 1hhy by Molmil
Deglucobalhimycin in complex with D-Ala-D-Ala
Descriptor: (2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol, D-ALANINE, DEGLUCOBALHIMYCIN, ...
Authors:Lehmann, C, Bunkoczi, G, Sheldrick, G.M, Vertesy, L.
Deposit date:2000-12-29
Release date:2003-09-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Structures of Glycopeptide Antibiotics with Peptides that Model Bacterial Cell-Wall Precursors
J.Mol.Biol., 318, 2002
2B82
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BU of 2b82 by Molmil
Crystal structure of AphA class B acid phosphatase/phosphotransferase ternary complex with adenosine and phosphate bound to the catalytic metal at 1.2 A resolution
Descriptor: ADENOSINE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Calderone, V, Forleo, C, Benvenuti, M, Thaller, M.C, Rossolini, G.M, Mangani, S.
Deposit date:2005-10-06
Release date:2005-11-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A structure-based proposal for the catalytic mechanism of the bacterial acid phosphatase AphA belonging to the DDDD superfamily of phosphohydrolases
J.Mol.Biol., 355, 2006
1J30
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BU of 1j30 by Molmil
The crystal structure of sulerythrin, a rubrerythrin-like protein from a strictly aerobic and thermoacidiphilic archaeon
Descriptor: 144aa long hypothetical rubrerythrin, FE (III) ION, OXYGEN MOLECULE, ...
Authors:Fushinobu, S, Shoun, H, Wakagi, T.
Deposit date:2003-01-16
Release date:2003-10-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Crystal Structure of Sulerythrin, A Rubrerythrin-like Protein from A Strictly Aerobic Archaeon, Sulfolobus tokodaii strain 7, shows unexpected domain swapping
Biochemistry, 42, 2003
4ZJJ
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BU of 4zjj by Molmil
PAK1 in complex with (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide
Descriptor: (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide, MAGNESIUM ION, Serine/threonine-protein kinase PAK 1
Authors:Gutmann, S, Rummel, G.
Deposit date:2015-04-29
Release date:2015-06-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
3LQ0
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BU of 3lq0 by Molmil
Zymogen structure of crayfish astacin metallopeptidase
Descriptor: GLYCEROL, ProAstacin, SULFATE ION, ...
Authors:Guevara, T, Yiallouros, I, Kappelhoff, R, Bissdorf, S, Stocker, W, Gomis-Ruth, F.X.
Deposit date:2010-02-08
Release date:2010-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Proenzyme structure and activation of astacin metallopeptidase
J.Biol.Chem., 285, 2010
1J2R
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BU of 1j2r by Molmil
Crystal structure of Escherichia coli gene product Yecd at 1.3 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Hypothetical isochorismatase family protein yecD
Authors:Suhre, K, Claverie, J.-M, Abergel, C, Bacterial targets at IGS-CNRS, France (BIGS)
Deposit date:2003-01-09
Release date:2004-01-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of escherichia coli gene product Yecd at 1.3 A resolution
To be published
1JK2
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BU of 1jk2 by Molmil
Zif268 D20A mutant bound to the GCT DNA site
Descriptor: 5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*CP*TP*G)-3', 5'-D(*TP*CP*AP*GP*CP*CP*CP*AP*CP*GP*C)-3', ZIF268, ...
Authors:Miller, J.C, Pabo, C.O.
Deposit date:2001-07-11
Release date:2001-10-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Rearrangement of side-chains in a Zif268 mutant highlights the complexities of zinc finger-DNA recognition.
J.Mol.Biol., 313, 2001
2JI2
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BU of 2ji2 by Molmil
X-ray structure of E114A mutant of superoxide reductase from Desulfoarculus baarsii in the native, reduced form
Descriptor: CALCIUM ION, Desulfoferrodoxin, FE (II) ION, ...
Authors:Katona, G, Carpentier, P, Niviere, V, Amara, P, Adam, V, Ohana, J, Tsanov, N, Bourgeois, D.
Deposit date:2007-02-24
Release date:2007-05-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Raman-assisted crystallography reveals end-on peroxide intermediates in a nonheme iron enzyme.
Science, 316, 2007
1N9K
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BU of 1n9k by Molmil
Crystal structure of the bromide adduct of AphA class B acid phosphatase/phosphotransferase from E. coli at 2.2 A resolution
Descriptor: BROMIDE ION, Class B acid phosphatase, MAGNESIUM ION
Authors:Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S.
Deposit date:2002-11-25
Release date:2004-02-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The first structure of a bacterial class B Acid phosphatase reveals further structural heterogeneity among phosphatases of the haloacid dehalogenase fold.
J.Mol.Biol., 335, 2004
1RH1
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BU of 1rh1 by Molmil
crystal structure of the cytotoxic bacterial protein colicin B at 2.5 A resolution
Descriptor: Colicin B
Authors:Hilsenbeck, J.L, Park, H, Chen, G, Youn, B, Postle, K, Kang, C.
Deposit date:2003-11-13
Release date:2004-03-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the cytotoxic bacterial protein colicin B at 2.5 A resolution
Mol.Microbiol., 51, 2004
7XGO
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BU of 7xgo by Molmil
Human renin in complex with compound2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND
Authors:Kashima, A.
Deposit date:2022-04-05
Release date:2022-08-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors.
Acs Med.Chem.Lett., 13, 2022
7XGK
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BU of 7xgk by Molmil
Human renin in complex with compound1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND
Authors:Kashima, A.
Deposit date:2022-04-05
Release date:2022-08-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors.
Acs Med.Chem.Lett., 13, 2022
1PRW
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BU of 1prw by Molmil
Crystal structure of bovine brain Ca++ calmodulin in a compact form
Descriptor: CALCIUM ION, Calmodulin
Authors:Fallon, J.L, Quiocho, F.A.
Deposit date:2003-06-20
Release date:2003-10-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A closed compact structure of native ca(2+)-calmodulin.
Structure, 11, 2003
1RMQ
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BU of 1rmq by Molmil
Crystal structure of AphA class B acid phosphatase/phosphotransferase with osmiate mimicking the catalytic intermediate
Descriptor: COBALT (II) ION, Class B acid phosphatase, OSMIUM ION
Authors:Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S.
Deposit date:2003-11-28
Release date:2004-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights in the catalytic mechanism of AphA from Escherichia coli
To be Published
1RMT
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BU of 1rmt by Molmil
Crystal structure of AphA class B acid phosphatase/phosphotransferase complexed with adenosine.
Descriptor: ADENOSINE, Class B acid phosphatase, MAGNESIUM ION
Authors:Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S.
Deposit date:2003-11-28
Release date:2004-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Insights in the catalytic mechanism of AphA from Escherichia coli
To be Published
1PUU
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BU of 1puu by Molmil
Mistletoe lectin I in complex with lactose
Descriptor: 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Krauspenhaar, R, Voelter, W, Stoeva, S, Mikhailov, A, Konareva, N, Betzel, C.
Deposit date:2003-06-25
Release date:2004-06-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mistletoe lectin I in complex with galactose and lactose reveals distinct sugar-binding properties
Acta Crystallogr.,Sect.F, 61, 2005
7YF6
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BU of 7yf6 by Molmil
Crystal structure of HIV-1 protease in complex with macrocyclic peptide
Descriptor: MAGNESIUM ION, Macrocyclic Peptide, Protease
Authors:Kusumoto, Y, Sato, S, Yamada, T, Kozono, I, Nakata, Z, Asada, N, Mitsuki, S, Wakasa-Morimoto, C, Tohru, M, Watanabe, A, Hayashi, K, Mikamiyama, H.
Deposit date:2022-07-07
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Highly Potent and Oral Macrocyclic Peptides as a HIV-1 Protease Inhibitor: mRNA Display-Derived Hit-to-Lead Optimization.
Acs Med.Chem.Lett., 13, 2022
1UJ6
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BU of 1uj6 by Molmil
Crystal structure of Thermus thermophilus ribose-5-phosphate isomerase complexed with arabinose-5-phosphate
Descriptor: ARABINOSE-5-PHOSPHATE, CHLORIDE ION, ribose 5-phosphate isomerase
Authors:Hamada, K, Ago, H, Sugahara, M, Nodake, Y, Kuramitsu, S, Yokoyama, S, Miyano, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-07-26
Release date:2004-07-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Oxyanion hole-stabilized stereospecific isomerization in ribose-5-phosphate isomerase (Rpi)
J.Biol.Chem., 278, 2003
1NRW
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BU of 1nrw by Molmil
The structure of a HALOACID DEHALOGENASE-LIKE HYDROLASE FROM B. SUBTILIS
Descriptor: CALCIUM ION, PHOSPHATE ION, hypothetical protein, ...
Authors:Cuff, M.E, Kim, Y, Zhang, R, Joachimiak, A, Collart, F, Quartey, P, Midwest Center for Structural Genomics (MCSG)
Deposit date:2003-01-25
Release date:2003-07-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of a HALOACID DEHALOGENASE-LIKE HYDROLASE FROM B. SUBTILIS
To be Published
1RMY
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BU of 1rmy by Molmil
Crystal structure of AphA class B acid phosphatase/phosphotransferase ternary complex with deoxycytosine and phosphate bound to the catalytic metal
Descriptor: 2'-DEOXYCYTIDINE, Class B acid phosphatase, MAGNESIUM ION, ...
Authors:Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S.
Deposit date:2003-11-28
Release date:2004-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights in the catalytic mechanism of AphA from Escherichia coli
To be Published
1PVC
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BU of 1pvc by Molmil
REFINEMENT OF THE SABIN STRAIN OF TYPE 3 POLIOVIRUS AT 2.4 ANGSTROMS AND THE CRYSTAL STRUCTURES OF ITS VARIANTS AT 2.9 ANGSTROMS RESOLUTION
Descriptor: MYRISTIC ACID, POLIOVIRUS TYPE 3, SABIN STRAIN, ...
Authors:Syed, R, Filman, D.J, Hogle, J.M.
Deposit date:1995-03-30
Release date:1995-09-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Refinement of the Sabin Strain of Type 3 Poliovirus at 2.4 Angstroms and the Crystal Structures of its Variants at 2.9 Angstroms Resolution
To be Published
1N8N
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BU of 1n8n by Molmil
Crystal structure of the Au3+ complex of AphA class B acid phosphatase/phosphotransferase from E. coli at 1.69 A resolution
Descriptor: Class B acid phosphatase, GOLD 3+ ION
Authors:Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S.
Deposit date:2002-11-21
Release date:2004-02-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The first structure of a bacterial class B Acid phosphatase reveals further structural heterogeneity among phosphatases of the haloacid dehalogenase fold.
J.Mol.Biol., 335, 2004
1OJH
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BU of 1ojh by Molmil
Crystal structure of NblA from PCC 7120
Descriptor: 1,2-ETHANEDIOL, NBLA
Authors:Bienert, R, Baier, K, Lockau, W, Heinemann, U.
Deposit date:2003-07-10
Release date:2004-07-15
Last modified:2011-08-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Nbla from Anabaena Sp. Pcc 7120, a Small Protein Playing a Key Role in Phycobilisome Degradation.
J.Biol.Chem., 281, 2006
7YX6
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BU of 7yx6 by Molmil
Crystal structure of YTHDF2 with compound YLI_DF_027
Descriptor: 6-ethyl-1H-pyrimidine-2,4-dione, GLYCEROL, SULFATE ION, ...
Authors:Nai, F, Li, Y, Caflisch, A.
Deposit date:2022-02-15
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022

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