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8EPK
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BU of 8epk by Molmil
Complex of anticoagulant RNA aptamer and human coagulation factor IXa (S195A)
Descriptor: CALCIUM ION, Coagulation factor IXa heavy chain, Coagulation factor IXa light chain, ...
Authors:Kolyadko, V.N, Krishnaswamy, S.
Deposit date:2022-10-05
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:An RNA aptamer exploits exosite-dependent allostery to achieve specific inhibition of coagulation factor IXa.
Proc.Natl.Acad.Sci.USA, 121, 2024
8EPH
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BU of 8eph by Molmil
Crystal structure of human coagulation factor IXa (S195A), apo-form, DES-GLA
Descriptor: CALCIUM ION, Coagulation factor IXa heavy chain, Coagulation factor IXa light chain, ...
Authors:Kolyadko, V.N, Krishnaswamy, S.
Deposit date:2022-10-05
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:An RNA aptamer exploits exosite-dependent allostery to achieve specific inhibition of coagulation factor IXa.
Proc.Natl.Acad.Sci.USA, 121, 2024
4PZI
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BU of 4pzi by Molmil
Zinc finger region of MLL2 in complex with CpG DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*CP*CP*GP*GP*TP*GP*GP*C)-3'), Histone-lysine N-methyltransferase 2B, UNKNOWN ATOM OR ION, ...
Authors:Chao, X, Tempel, W, Liu, K, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-03-31
Release date:2014-06-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
4QG5
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BU of 4qg5 by Molmil
Crystal structure of phosphoglucomutase from Leishmania major at 3.5 angstrom resolution
Descriptor: MAGNESIUM ION, Putative phosphoglucomutase
Authors:Waugh, B, Sen, U, Banerjee, R.
Deposit date:2014-05-22
Release date:2015-05-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of phosphoglucomutase from Leishmania major at 3.5 angstrom resolution
To be Published
4QAQ
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BU of 4qaq by Molmil
1.58 A resolution structure of CT263 (MTAN) from Chlamydia trachomatis
Descriptor: CT263, SULFATE ION
Authors:Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S.
Deposit date:2014-05-05
Release date:2014-10-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
4Q7I
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BU of 4q7i by Molmil
Crystal structure of engineered thermostable D-tagatose 3-epimerase PcDTE-Var8
Descriptor: D-tagatose 3-epimerase, GLYCEROL, IMIDAZOLE, ...
Authors:Hee, C.S, Bosshart, A, Schirmer, T.
Deposit date:2014-04-25
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Directed Divergent Evolution of a Thermostable D-Tagatose Epimerase towards Improved Activity for Two Hexose Substrates.
Chembiochem, 16, 2015
4QDC
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BU of 4qdc by Molmil
Crystal structure of 3-ketosteroid-9-alpha-hydroxylase 5 (KshA5) from R. rhodochrous in complex with FE2/S2 (INORGANIC) CLUSTER
Descriptor: 3-ketosteroid 9alpha-hydroxylase oxygenase, 4-ANDROSTENE-3-17-DIONE, FE (III) ION, ...
Authors:Penfield, J, Worrall, L.J, Strynadka, N.C, Eltis, L.D.
Deposit date:2014-05-13
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate specificities and conformational flexibility of 3-ketosteroid 9 alpha-hydroxylases.
J.Biol.Chem., 289, 2014
4QAR
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BU of 4qar by Molmil
1.45 A resolution structure of CT263 (MTAN) from Chlamydia trachomatis bound to Adenine
Descriptor: ADENINE, CT263, SULFATE ION
Authors:Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S.
Deposit date:2014-05-05
Release date:2014-10-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
4PZG
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BU of 4pzg by Molmil
Crystal structure of human sorting nexin 10 (SNX10)
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, NITRATE ION, Sorting nexin-10
Authors:Xu, T, Xu, J, Wang, Q, Liu, J.
Deposit date:2014-03-30
Release date:2014-09-24
Last modified:2014-12-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of human SNX10 reveals insights into its role in human autosomal recessive osteopetrosis.
Proteins, 82, 2014
8FOX
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BU of 8fox by Molmil
AbeH (Tryptophan-5-halogenase)
Descriptor: SULFATE ION, Tryptophan 5-halogenase
Authors:Ashaduzzaman, M, Bellizzi, J.J.
Deposit date:2023-01-03
Release date:2023-08-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystallographic and thermodynamic evidence of negative cooperativity of flavin and tryptophan binding in the flavin-dependent halogenases AbeH and BorH.
Biorxiv, 2023
4R5V
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BU of 4r5v by Molmil
Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
Descriptor: GLYCEROL, M1 family aminopeptidase, N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}-2,2-dimethylpropanamide, ...
Authors:Drinkwater, N, Mcgowan, S.
Deposit date:2014-08-22
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
4QT7
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BU of 4qt7 by Molmil
Crystal structure of the c-Src SH3 domain in complex with a peptide from the Hepatitis C virus NS5A-protein
Descriptor: NS5A, Proto-oncogene tyrosine-protein kinase Src
Authors:Camara-Artigas, A, Bacarizo, J.
Deposit date:2014-07-07
Release date:2014-12-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of the c-Src-SH3 domain in complex with a proline-rich motif of NS5A protein from the hepatitis C virus.
J.Struct.Biol., 189, 2015
4QPN
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BU of 4qpn by Molmil
Crystal Structure of Human Methyltransferase-Like Protein 21B
Descriptor: Protein-lysine methyltransferase METTL21B, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Tempel, W, Hong, B.S, Seitova, A, He, H, Li, Y, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2014-06-24
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal Structure of Human Methyltransferase-Like Protein 21B
TO BE PUBLISHED
4R7M
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BU of 4r7m by Molmil
Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
Descriptor: 4-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, CARBONATE ION, DIMETHYL SULFOXIDE, ...
Authors:Drinkwater, N, Mcgowan, S.
Deposit date:2014-08-28
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
4OGB
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BU of 4ogb by Molmil
Crystal structure of the catalytic domain of PDE4D2 with compound 2
Descriptor: (2R)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2H-pyran-4-yl)-2H-chromen-4-ol, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Feil, S.C, Parker, M.W.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.032 Å)
Cite:The PDE inhibition profile of LY294002 and tetrahydropyranyl analogues reveals a chromone motif for the development of PDE inhibitors
To be Published
4ONA
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BU of 4ona by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1517
Descriptor: 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-01-28
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
4O8I
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BU of 4o8i by Molmil
1.45A resolution structure of PEG 400 Bound Cyclophilin D
Descriptor: PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
Authors:Lovell, S, Valasani, K.R, Battaile, K.P, Wang, C, Yan, S.S.
Deposit date:2013-12-27
Release date:2014-06-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:High-resolution crystal structures of two crystal forms of human cyclophilin D in complex with PEG 400 molecules.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4QYK
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BU of 4qyk by Molmil
Crystal structure of a canine parvovirus variant
Descriptor: Capsid protein VP1, MAGNESIUM ION
Authors:Lukk, T, Organtini, L.J, Hafenstein, S.U.
Deposit date:2014-07-24
Release date:2014-12-10
Last modified:2015-01-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Global Displacement of Canine Parvovirus by a Host-Adapted Variant: Structural Comparison between Pandemic Viruses with Distinct Host Ranges.
J.Virol., 89, 2015
4R06
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BU of 4r06 by Molmil
Crystal Structure of SR2067 bound to PPARgamma
Descriptor: 1-(naphthalen-1-ylsulfonyl)-N-[(1S)-1-phenylpropyl]-1H-indole-5-carboxamide, Peroxisome proliferator-activated receptor gamma, SULFATE ION
Authors:Marrewijk, L, Kamenecka, T, Griffin, P.R, Bruning, J.B.
Deposit date:2014-07-30
Release date:2016-01-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:SR2067 Reveals a Unique Kinetic and Structural Signature for PPAR gamma Partial Agonism.
Acs Chem.Biol., 11, 2016
4R61
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BU of 4r61 by Molmil
Crystal structure of a rationally designed single-chain protein mimicking a trimeric gp41 N-terminal heptad-repeat region
Descriptor: gp41-based construct covNHR3-ABC
Authors:Camara-Artigas, A, Conejero-Lara, F, Crespillo, S, Casares, S.
Deposit date:2014-08-22
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Single-chain protein mimetics of the N-terminal heptad-repeat region of gp41 with potential as anti-HIV-1 drugs.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QQ4
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BU of 4qq4 by Molmil
CW-type zinc finger of MORC3 in complex with the amino terminus of histone H3
Descriptor: CHLORIDE ION, Histone H3.3, MORC family CW-type zinc finger protein 3, ...
Authors:Liu, Y, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-06-26
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Family-wide Characterization of Histone Binding Abilities of Human CW Domain-containing Proteins.
J.Biol.Chem., 291, 2016
4QDF
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BU of 4qdf by Molmil
Crystal structure of apo KshA5 and KshA1 in complex with 1,4-30Q-CoA from R. rhodochrous
Descriptor: 3-ketosteroid 9alpha-hydroxylase oxygenase, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Penfield, J, Worrall, L.J, Strynadka, N.C, Eltis, L.D.
Deposit date:2014-05-13
Release date:2014-07-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Substrate specificities and conformational flexibility of 3-ketosteroid 9 alpha-hydroxylases.
J.Biol.Chem., 289, 2014
4RCJ
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BU of 4rcj by Molmil
Crystal structure of YTHDF1 YTH domain in complex with 5mer m6A RNA
Descriptor: RNA (5'-R(*GP*GP*(6MZ)P*CP*U)-3'), UNKNOWN ATOM OR ION, YTH domain-containing family protein 1
Authors:Tempel, W, Xu, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-09-16
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for the Discriminative Recognition of N6-Methyladenosine RNA by the Human YT521-B Homology Domain Family of Proteins.
J.Biol.Chem., 290, 2015
4R8Z
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BU of 4r8z by Molmil
Crystal Structure of PA4781 HD-GYP domain from Pseudomonas aeruginosa at 2.2A resolution showing a bi-metallic Ni ion center
Descriptor: CHLORIDE ION, Cyclic di-GMP phosphodiesterase, NICKEL (II) ION
Authors:Giardina, G, Cutruzzolaa, F, Rinaldo, S, Stelitano, V.
Deposit date:2014-09-03
Release date:2015-03-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of functional diversification of the HD-GYP domain revealed by the Pseudomonas aeruginosa PA4781 protein, which displays an unselective bimetallic binding site.
J.Bacteriol., 197, 2015
4R3H
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BU of 4r3h by Molmil
The crystal structure of an apo RNA binding protein
Descriptor: SULFATE ION, UNKNOWN ATOM OR ION, YTH domain-containing protein 1
Authors:Xu, C, Liu, K, Tempel, W, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-08-15
Release date:2014-09-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for selective binding of m(6)A RNA by the YTHDC1 YTH domain.
Nat.Chem.Biol., 10, 2014

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