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3KLO
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BU of 3klo by Molmil
Vibrio cholerae VpsT bound to c-di-GMP
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), D(-)-TARTARIC ACID, Transcriptional regulator VpsT
Authors:Krasteva, P.V, Navarro, V.A.S, Sondermann, H.
Deposit date:2009-11-08
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Vibrio cholerae VpsT Regulates Matrix Production and Motility by Directly Sensing Cyclic di-GMP.
Science, 327, 2010
3KM3
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BU of 3km3 by Molmil
Crystal structure of eoxycytidine triphosphate deaminase from anaplasma phagocytophilum at 2.1A resolution
Descriptor: Deoxycytidine triphosphate deaminase, IODIDE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-11-09
Release date:2009-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SAD phasing using iodide ions in a high-throughput structural genomics environment.
J.Struct.Funct.Genom., 12, 2011
3KOI
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BU of 3koi by Molmil
Crystal structure of cobalt (III) human carbonic anhydrase II at pH 6.0
Descriptor: COBALT (III) ION, Carbonic anhydrase 2
Authors:Avvaru, B.S.
Deposit date:2009-11-13
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Comparison of solution and crystal properties of Co(II)-substituted human carbonic anhydrase II.
Arch.Biochem.Biophys., 502, 2010
3L2I
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BU of 3l2i by Molmil
1.85 Angstrom Crystal Structure of the 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2.
Descriptor: 3-dehydroquinate dehydratase, MAGNESIUM ION
Authors:Minasov, G, Light, S.H, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-12-15
Release date:2009-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A conserved surface loop in type I dehydroquinate dehydratases positions an active site arginine and functions in substrate binding.
Biochemistry, 50, 2011
3KON
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BU of 3kon by Molmil
Crystal structure of cobalt (II) human carbonic anhydrase II at pH 11.0
Descriptor: COBALT (II) ION, Carbonic anhydrase 2
Authors:Avvaru, B.S.
Deposit date:2009-11-13
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Comparison of solution and crystal properties of Co(II)-substituted human carbonic anhydrase II.
Arch.Biochem.Biophys., 502, 2010
3KOX
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BU of 3kox by Molmil
Crystal Structure of ornithine 4,5 aminomutase in complex with 2,4-diaminobutyrate (Anaerobic)
Descriptor: (2S)-2-amino-4-{[(1Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}butanoic acid, 5'-DEOXYADENOSINE, COBALAMIN, ...
Authors:Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D.
Deposit date:2009-11-14
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase.
J.Biol.Chem., 285, 2010
5K9K
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BU of 5k9k by Molmil
Crystal structure of multidonor HV6-1-class broadly neutralizing Influenza A antibody 56.a.09 in complex with Hemagglutinin Hong Kong 1968.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 56.a.09 Heavy chain, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-05-31
Release date:2016-12-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
3KS3
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BU of 3ks3 by Molmil
High resolution structure of Human Carbonic Anhydrase II at 0.9 A
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Avvaru, B.S.
Deposit date:2009-11-20
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:A short, strong hydrogen bond in the active site of human carbonic anhydrase II.
Biochemistry, 49, 2010
3KL1
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BU of 3kl1 by Molmil
Crystal structure of abscisic acid receptor PYL2 at 1.55 A
Descriptor: Putative uncharacterized protein At2g26040
Authors:Zhang, X, Wang, G, Chen, Z.
Deposit date:2009-11-06
Release date:2010-11-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
3L0V
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BU of 3l0v by Molmil
Crystal structure of catalytic domain of TACE with the first hydantoin inhibitor occupying the S1' pocket
Descriptor: (5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione, Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION
Authors:Orth, P.
Deposit date:2009-12-10
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery and SAR of hydantoin TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KMC
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BU of 3kmc by Molmil
Crystal structure of catalytic domain of TACE with tartrate-based inhibitor
Descriptor: (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, TNF-alpha-converting enzyme, ...
Authors:Orth, P.
Deposit date:2009-11-10
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
3L24
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BU of 3l24 by Molmil
Crystal Structure of the Nerve Agent Degrading Organophosphate Anhydrolase/Prolidase in Complex with Inhibitors
Descriptor: GLYCOLIC ACID, MANGANESE (II) ION, Xaa-Pro dipeptidase
Authors:Vyas, N.K, Nichitenko, A, Rastogi, V.K, Shah, S.S, Quiocho, F.A.
Deposit date:2009-12-14
Release date:2010-01-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the dual activities of the nerve agent degrading organophosphate anhydrolase/prolidase.
Biochemistry, 49, 2010
3KMU
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BU of 3kmu by Molmil
Crystal structure of the ILK/alpha-parvin core complex (apo)
Descriptor: Alpha-parvin, Integrin-linked kinase
Authors:Fukuda, K, Qin, J.
Deposit date:2009-11-11
Release date:2009-12-29
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The pseudoactive site of ILK is essential for its binding to alpha-Parvin and localization to focal adhesions.
Mol.Cell, 36, 2009
3KO1
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BU of 3ko1 by Molmil
Cystal structure of thermosome from Acidianus tengchongensis strain S5
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperonin
Authors:Huo, Y, Zhang, K, Hu, Z, Wang, L, Zhai, Y, Zhou, Q, Lander, G, He, Y, Zhu, J, Xu, W, Dong, Z, Sun, F.
Deposit date:2009-11-12
Release date:2010-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Crystal structure of group II chaperonin in the open state.
Structure, 18, 2010
3KPD
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BU of 3kpd by Molmil
Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine.
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100
Authors:Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Chantar, M.L, Martinez-Cruz, L.A.
Deposit date:2009-11-16
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair.
J.Mol.Biol., 396, 2010
3L3R
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BU of 3l3r by Molmil
Structural, Computational and Kinetic Data for Antifolate Interactions Against Pneumocystis jirovecii, Pneumocystis carinii and Human Dihydrofolate Reductase and Their Active Site Mutants
Descriptor: 6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Cody, V.
Deposit date:2009-12-17
Release date:2011-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kinetic and Structural Analysis for Potent Antifolate Inhibition of Pneumocystis jirovecii, Pneumocystis carinii, and Human Dihydrofolate Reductases and Their Active-Site Variants.
Antimicrob.Agents Chemother., 57, 2013
4Z64
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BU of 4z64 by Molmil
the plant peptide hormone receptor complex in arabidopsis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine, ...
Authors:Chai, J, Wang, J, Han, Z.
Deposit date:2015-04-03
Release date:2016-03-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.659 Å)
Cite:Allosteric receptor activation by the plant peptide hormone phytosulfokine
Nature, 525, 2015
7P98
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BU of 7p98 by Molmil
Cyclohex-1-ene-1-carboxyl-CoA dehydrogenase in a substrate-free state
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Short-chain acyl-CoA dehydrogenase
Authors:Ermler, U, Weidenweber, S, Boll, M.
Deposit date:2021-07-26
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis of Cyclic 1,3-Diene Forming Acyl-Coenzyme A Dehydrogenases.
Chembiochem, 22, 2021
8H68
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BU of 8h68 by Molmil
Crystal structure of Caenorhabditis elegans NMAD-1 in complex with NOG and Mg(II)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Shi, Y, Ding, J, Yang, H.
Deposit date:2022-10-16
Release date:2023-02-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Caenorhabditis elegans NMAD-1 functions as a demethylase for actin.
J Mol Cell Biol, 15, 2023
3KMA
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BU of 3kma by Molmil
Crystal Structure of vSET under Condition A
Descriptor: A612L protein, CHLORIDE ION, GLYCEROL, ...
Authors:Wei, H, Zhou, M.M.
Deposit date:2009-11-10
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Dimerization of a viral SET protein endows its function.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KMF
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BU of 3kmf by Molmil
Room Temperature Time-of-Flight Neutron Diffraction Study of Deoxy Human Normal Adult Hemoglobin
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kovalevsky, A.Y, Morimoto, Y, Chatake, T.
Deposit date:2009-11-10
Release date:2010-04-21
Last modified:2023-11-01
Method:NEUTRON DIFFRACTION (2 Å)
Cite:Direct Determination of Protonation States of Histidine Residues in a 2 A Neutron Structure of Deoxy-Human Normal Adult Hemoglobin and Implications for the Bohr Effect.
J.Mol.Biol., 398, 2010
4GBP
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BU of 4gbp by Molmil
Crystal Structure of BBBB+UDP+Gal at pH 10 with MPD as the cryoprotectant
Descriptor: Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
Authors:Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V.
Deposit date:2012-07-27
Release date:2013-12-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state.
Glycobiology, 24, 2014
3KP6
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BU of 3kp6 by Molmil
Staphylococcus epidermidis TcaR in complex with salicylate
Descriptor: 2-HYDROXYBENZOIC ACID, CACODYLATE ION, Transcriptional regulator TcaR
Authors:Chang, Y.M, Chen, C.K, Yeh, Y.J, Wang, A.H.
Deposit date:2009-11-15
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural study of TcaR and its complexes with multiple antibiotics from Staphylococcus epidermidis.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KUF
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BU of 3kuf by Molmil
The Crystal Structure of the Tudor Domains from FXR1
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Fragile X mental retardation syndrome-related protein 1, GLYCEROL
Authors:Bian, C, Guo, Y.H, Adams-Cioaba, M.A, Mackenzie, F, Kozieradzki, I, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2009-11-27
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the Tudor domains from Fragile X mental retardation syndrome-related protein 1
To be Published
6RTI
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BU of 6rti by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with aptamer A9g
Descriptor: (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Motlova, L, Kolenko, P, Barinka, C.
Deposit date:2019-05-24
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of prostate-specific membrane antigen recognition by the A9g RNA aptamer.
Nucleic Acids Res., 48, 2020

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