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2OII
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BU of 2oii by Molmil
Structure of EMILIN-1 C1q-like domain
Descriptor: EMILIN-1
Authors:Verdone, G, Colebrooke, S.A, Corazza, A, Cicero, D.O, Eliseo, T, Viglino, P, Campbell, I.D, Colombatti, A, Esposito, G.
Deposit date:2007-01-11
Release date:2008-01-22
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:The solution structure of the C-terminal domain of EMILIN-1
To be Published
2JPX
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BU of 2jpx by Molmil
A18H Vpu TM structure in lipid bilayers
Descriptor: Vpu protein
Authors:Park, S, Opella, S.J.
Deposit date:2007-05-25
Release date:2007-11-13
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Conformational changes induced by a single amino acid substitution in the trans-membrane domain of Vpu: implications for HIV-1 susceptibility to channel blocking drugs
Protein Sci., 16, 2007
4HIZ
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BU of 4hiz by Molmil
Phage phi92 endosialidase
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Schwarzer, D, Browning, C, Leiman, P.G.
Deposit date:2012-10-12
Release date:2014-01-15
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Structure and biochemical characterization of bacteriophage phi92 endosialidase.
Virology, 477, 2015
3QRS
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BU of 3qrs by Molmil
HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor
Descriptor: 4-({(3S,4S)-4-[(4-carbamoylbenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide, CHLORIDE ION, Protease
Authors:Lindemann, I, Heine, A, Klebe, G.
Deposit date:2011-02-18
Release date:2012-02-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Design of a series of novel three-armed pyrrolidine-based inhibitors for HIV-1 protease
To be Published
3MNU
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BU of 3mnu by Molmil
Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron containing aromatic sulfamide with mammalian isoforms I-XV
Descriptor: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
Authors:Di Fiore, A, De Simone, G.
Deposit date:2010-04-22
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV.
Bioorg.Med.Chem.Lett., 20, 2010
2XFY
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BU of 2xfy by Molmil
Crystal structure of Barley Beta-Amylase complexed with alpha- cyclodextrin
Descriptor: 1,2-ETHANEDIOL, BETA-AMYLASE, Cyclohexakis-(1-4)-(alpha-D-glucopyranose)
Authors:Rejzek, M, Stevenson, C.E.M, Southard, A.M, Stanley, D, Denyer, K, Smith, A.M, Naldrett, M.J, Lawson, D.M, Field, R.A.
Deposit date:2010-05-28
Release date:2010-12-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.207 Å)
Cite:Chemical Genetics and Cereal Starch Metabolism: Structural Basis of the Non-Covalent and Covalent Inhibition of Barley Beta-Amylase.
Mol.Biosyst., 7, 2011
3MCH
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BU of 3mch by Molmil
Crystal structure of the molybdopterin biosynthesis enzyme MoaB (TTHA0341) from thermus theromophilus HB8
Descriptor: 1,2-ETHANEDIOL, Molybdopterin biosynthesis enzyme, MoaB
Authors:Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Baba, S, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2010-03-29
Release date:2011-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structures, dynamics and functional implications of molybdenum-cofactor biosynthesis protein MogA from two thermophilic organisms
Acta Crystallogr.,Sect.F, 67, 2011
1ZBG
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BU of 1zbg by Molmil
Crystal structure of a complex of mutant hiv-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[R-CH(OH)CH2NH]-PHE-GLU-PHE-NH2
Descriptor: CHLORIDE ION, N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN, ...
Authors:Duskova, J, Skalova, T, Dohnalek, J, Petrokova, H, Hasek, J.
Deposit date:2005-04-08
Release date:2006-04-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Mutational Study of Pseudopeptide Inhibitor Binding to HIV-1 Protease; Analysis of Four X-ray Structures
To be Published
1ZCI
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BU of 1zci by Molmil
HIV-1 DIS RNA subtype F- monoclinic form
Descriptor: 5'-R(*CP*(5BU)P*UP*GP*CP*UP*GP*AP*AP*GP*UP*GP*CP*AP*CP*AP*CP*AP*GP*CP*AP*AP*G)-3', POTASSIUM ION
Authors:Ennifar, E, Dumas, P.
Deposit date:2005-04-12
Release date:2006-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Polymorphism of Bulged-out Residues in HIV-1 RNA DIS Kissing Complex and Structure Comparison with Solution Studies.
J.Mol.Biol., 356, 2006
3WWR
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BU of 3wwr by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1-((((1S,2R,6R,Z)-2,6-dihydroxy-4-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-3-methylenecyclohexyl)oxy)methyl)cyclopropanecarbonitrile
Descriptor: 1-({[(1R,2S,3R,5Z,7E,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile, Vitamin D3 receptor
Authors:Kakuda, S, Takimoto-Kamimura, M.
Deposit date:2014-06-27
Release date:2014-12-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Synthesis and biological activities of vitamin D3 derivatives with cyanoalkyl side chain at C-2 position.
J.Steroid Biochem.Mol.Biol., 148, 2015
1WU6
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BU of 1wu6 by Molmil
Crystal structure of reducing-end-xylose releasing exo-oligoxylanase E70A mutant complexed with xylobiose
Descriptor: GLYCEROL, NICKEL (II) ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, ...
Authors:Fushinobu, S, Hidaka, M, Honda, Y, Wakagi, T, Shoun, H, Kitaoka, M.
Deposit date:2004-12-01
Release date:2005-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Basis for the Specificity of the Reducing End Xylose-releasing Exo-oligoxylanase from Bacillus halodurans C-125
J.Biol.Chem., 280, 2005
1GDD
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BU of 1gdd by Molmil
TERTIARY AND QUATERNARY STRUCTURAL CHANGES IN GIA1 INDUCED BY GTP HYDROLYSIS
Descriptor: GI ALPHA 1, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION
Authors:Mixon, M.B, Sprang, S.R.
Deposit date:1995-07-25
Release date:1995-11-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Tertiary and quaternary structural changes in Gi alpha 1 induced by GTP hydrolysis.
Science, 270, 1995
3WNE
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BU of 3wne by Molmil
Cyclic hexapeptide PKIDNG in complex with HIV-1 integrase
Descriptor: CADMIUM ION, CHLORIDE ION, Gag-Pol polyprotein, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W.
Deposit date:2013-12-09
Release date:2013-12-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Hexapeptide mimetics of LEDGF in complex with HIV-1 integrase
to be published
4HC4
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BU of 4hc4 by Molmil
Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Protein arginine N-methyltransferase 6, ...
Authors:Dong, A, Zeng, H, He, H, El Bakkouri, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-09-28
Release date:2012-10-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis of arginine asymmetrical dimethylation by PRMT6.
Biochem. J., 473, 2016
1OQS
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BU of 1oqs by Molmil
Crystal Structure of RV4/RV7 Complex
Descriptor: Phospholipase A2 RV-4, Phospholipase A2 RV-7
Authors:Perbandt, M, Betzel, C.
Deposit date:2003-03-11
Release date:2003-09-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the heterodimeric neurotoxic complex viperotoxin F (RV-4/RV-7) from the venom of Vipera russelli formosensis at 1.9 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
4HEM
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BU of 4hem by Molmil
Llama vHH-02 binder of ORF49 (RBP) from lactococcal phage TP901-1
Descriptor: Anti-baseplate TP901-1 Llama vHH 02, BPP
Authors:Desmyter, A, Spinelli, S, Farenc, C, Blangy, S, Bebeacua, C, van Sinderen, D, Mahony, J, Cambillau, C.
Deposit date:2012-10-04
Release date:2013-03-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Viral infection modulation and neutralization by camelid nanobodies
Proc.Natl.Acad.Sci.USA, 110, 2013
3WN6
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BU of 3wn6 by Molmil
Crystal structure of alpha-amylase AmyI-1 from Oryza sativa
Descriptor: Alpha-amylase, CALCIUM ION, D(-)-TARTARIC ACID, ...
Authors:Ochiai, A, Sugai, H, Harada, K, Tanaka, S, Ishiyama, Y, Ito, K, Tanaka, T, Uchiumi, T, Taniguchi, M, Mitsui, T.
Deposit date:2013-12-05
Release date:2014-09-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of alpha-amylase from Oryza sativa: molecular insights into enzyme activity and thermostability
Biosci.Biotechnol.Biochem., 78, 2014
3MHI
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BU of 3mhi by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{[(5-nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]methyl}benzenesulfonamide
Descriptor: 4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Grazulis, S, Manakova, E, Golovenko, D.
Deposit date:2010-04-08
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
4KV3
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BU of 4kv3 by Molmil
Ubiquitin-like domain of the Mycobacterium tuberculosis type VII secretion system protein EccD1 as maltose-binding protein fusion
Descriptor: Chimera fusion protein of ESX-1 secretion system protein eccD1 and Maltose-binding periplasmic protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Korotkov, K.V, Evans, T.J.
Deposit date:2013-05-22
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of EccB1 and EccD1 from the core complex of the mycobacterial ESX-1 type VII secretion system.
Bmc Struct.Biol., 16, 2016
1ZN7
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BU of 1zn7 by Molmil
Human Adenine Phosphoribosyltransferase Complexed with PRPP, ADE and R5P
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 5-O-phosphono-alpha-D-ribofuranose, ADENINE, ...
Authors:Iulek, J, Silva, M, Tomich, C.H.T.P, Thiemann, O.H.
Deposit date:2005-05-11
Release date:2006-04-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural Complexes of Human Adenine Phosphoribosyltransferase Reveal Novel Features of the APRT Catalytic Mechanism
J.Biomol.Struct.Dyn., 25, 2008
3C7V
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BU of 3c7v by Molmil
Structural Insight into the Kinetics and Delta-Cp of interactions between TEM-1 Beta-Lactamase and BLIP
Descriptor: Beta-lactamase, Beta-lactamase inhibitory protein
Authors:Wang, J, Chow, D.-C.
Deposit date:2008-02-08
Release date:2008-10-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural insight into the kinetics and DeltaCp of interactions between TEM-1 beta-lactamase and beta-lactamase inhibitory protein (BLIP)
J.Biol.Chem., 284, 2009
3WYY
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BU of 3wyy by Molmil
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH (E)-3-(4-((6-(((3s,5s,7s)-adamantan-1-yl)amino)-4-amino-5-cyanopyridin-2-yl)amino)-2-(cyanomethoxy)phenyl)-N-(2-methoxyethyl)acrylamide
Descriptor: (2E)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-N-(2-methoxyethyl)prop-2-enamide, Dual specificity protein kinase TTK
Authors:Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Murai, H, Nakamura, Y.
Deposit date:2014-09-10
Release date:2015-04-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
2CJZ
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BU of 2cjz by Molmil
crystal structure of the c472s mutant of human protein tyrosine phosphatase ptpn5 (step, striatum enriched phosphatase) in complex with phosphotyrosine
Descriptor: 1,2-ETHANEDIOL, HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5, O-PHOSPHOTYROSINE
Authors:Debreczeni, J.E, Barr, A.J, Eswaran, J, Smee, C, Burgess, N, Gileadi, O, Savitsky, P, Sundstrom, M, Arrowsmith, C, Edwards, A, Weigelt, J, Knapp, S, von Delft, F.
Deposit date:2006-04-10
Release date:2006-05-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Large-Scale Structural Analysis of the Classical Human Protein Tyrosine Phosphatome.
Cell(Cambridge,Mass.), 136, 2009
1ZGN
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BU of 1zgn by Molmil
Crystal Structure of the Glutathione Transferase Pi in Complex with Dinitrosyl-diglutathionyl Iron Complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FE (III) ION, GLUTATHIONE, ...
Authors:Parker, L.J, Adams, J.J, Parker, M.W.
Deposit date:2005-04-21
Release date:2005-11-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Nitrosylation of human glutathione transferase P1-1 with dinitrosyl diglutathionyl iron complex in vitro and in vivo
J.Biol.Chem., 280, 2005
1ZGY
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BU of 1zgy by Molmil
Structural and Biochemical Basis for Selective Repression of the Orphan Nuclear Receptor LRH-1 by SHP
Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Nuclear receptor subfamily 0, ...
Authors:Li, Y, Choi, M, Suino, K, Kovach, A, Daugherty, J, Kliewer, S.A, Xu, H.E.
Deposit date:2005-04-22
Release date:2005-07-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and biochemical basis for selective repression of the orphan nuclear receptor liver receptor homolog 1 by small heterodimer partner.
Proc.Natl.Acad.Sci.Usa, 102, 2005

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