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4O55
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HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid
Descriptor: (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION
Authors:Feng, L, Kvaratskhelia, M.
Deposit date:2013-12-19
Release date:2014-07-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase.
Plos Pathog., 10, 2014
5SV6
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BU of 5sv6 by Molmil
Crystal structure of MxaJ from Methlophaga aminisulfidivorans MPT
Descriptor: BROMIDE ION, Extracellular solute-binding protein, family 3
Authors:Choi, J.M, Lee, S.H.
Deposit date:2016-08-04
Release date:2017-07-12
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:MxaJ structure reveals a periplasmic binding protein-like architecture with unique secondary structural elements
Proteins, 85, 2017
4OFD
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BU of 4ofd by Molmil
Crystal Structure of mouse Neph1 D1-D2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Kin of IRRE-like protein 1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Ozkan, E, Garcia, K.C.
Deposit date:2014-01-14
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.94 Å)
Cite:Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis.
Cell(Cambridge,Mass.), 156, 2014
4OI9
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BU of 4oi9 by Molmil
Crystal Structure of ICAM-5 D1-D4 ectodomain fragment, Space Group P21
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Recacha, R, Jimenez, D, Tian, L, Barredo, R, Ghamberg, C, Casasnovas, J.M.
Deposit date:2014-01-19
Release date:2014-07-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of an ICAM-5 ectodomain fragment show electrostatic-based homophilic adhesions.
Acta Crystallogr.,Sect.D, 70, 2014
4RWJ
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BU of 4rwj by Molmil
Crystal Structure of FGFR1 (C488A, C584S) in complex with AZD4547 (N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4-[(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE)
Descriptor: Fibroblast growth factor receptor 1, N-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide
Authors:Sohl, C.D, Anderson, K.S.
Deposit date:2014-12-04
Release date:2015-04-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.489 Å)
Cite:Illuminating the Molecular Mechanisms of Tyrosine Kinase Inhibitor Resistance for the FGFR1 Gatekeeper Mutation: The Achilles' Heel of Targeted Therapy.
Acs Chem.Biol., 10, 2015
6JXN
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BU of 6jxn by Molmil
Crystal Structure of Indigo reductase from Bacillus smithii type strain DSM 4216
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, FLAVIN MONONUCLEOTIDE, ...
Authors:Yoneda, K, Sakuraba, H, Ohshima, T.
Deposit date:2019-04-24
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural and biochemical characterization of an extremely thermostable FMN-dependent NADH-indigo reductase from Bacillus smithii.
Int.J.Biol.Macromol., 164, 2020
4MBE
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BU of 4mbe by Molmil
Sac3:Sus1:Cdc31:Nup1 complex
Descriptor: CALCIUM ION, Cell division control protein 31, Nuclear mRNA export protein SAC3, ...
Authors:Jani, D, Meineke, B, Stewart, M.
Deposit date:2013-08-19
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.612 Å)
Cite:Structural basis for binding the TREX2 complex to nuclear pores, GAL1 localisation and mRNA export.
Nucleic Acids Res., 42, 2014
3T3S
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BU of 3t3s by Molmil
Human Cytochrome P450 2A13 in complex with Pilocarpine
Descriptor: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A13, PROTOPORPHYRIN IX CONTAINING FE
Authors:DeVore, N.M, Scott, E.E.
Deposit date:2011-07-25
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
4RSU
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BU of 4rsu by Molmil
Crystal structure of the light and hvem complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Liu, W, Ramagoal, U.A, Himmel, D, Bonanno, J.B, Nathenson, S.G, Almo, S.C, Atoms-to-Animals: The Immune Function Network (IFN), New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-11-11
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:HVEM structures and mutants reveal distinct functions of binding to LIGHT and BTLA/CD160.
J.Exp.Med., 218, 2021
4RUG
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BU of 4rug by Molmil
Cyrstal structure of SLIT-ROBO Rho GTPase-activating protein 2 fragment
Descriptor: SLIT-ROBO Rho GTPase-activating protein 2
Authors:Opatowsky, Y, Guez-Hadad, J.
Deposit date:2014-11-19
Release date:2015-11-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The Neuronal Migration Factor srGAP2 Achieves Specificity in Ligand Binding through a Two-Component Molecular Mechanism.
Structure, 23, 2015
6KCX
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BU of 6kcx by Molmil
Crystal structure of citrate complex of alpha-glucuronidase (TM0752)from Thermotoga maritima
Descriptor: Alpha-glucosidase, putative, CITRIC ACID, ...
Authors:Manoj, N, Mohapatra, B.S.
Deposit date:2019-06-29
Release date:2020-04-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.933 Å)
Cite:Structure of an alpha-glucuronidase in complex with Co2+and citrate provides insights into the mechanism and substrate recognition in the family 4 glycosyl hydrolases.
Biochem.Biophys.Res.Commun., 518, 2019
3SQ5
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BU of 3sq5 by Molmil
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase H432N Mutant
Descriptor: Tyrosyl-DNA phosphodiesterase 1
Authors:Gajewski, S, White, S.W.
Deposit date:2011-07-04
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Analysis of the active-site mechanism of tyrosyl-DNA phosphodiesterase I: a member of the phospholipase D superfamily.
J.Mol.Biol., 415, 2012
4TZ7
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BU of 4tz7 by Molmil
Crystal structure of type I phosphatidylinositol 4-phosphate 5-kinase alpha from Zebrafish
Descriptor: Phosphatidylinositol-4-phosphate 5-kinase, type I, alpha
Authors:Hu, J, Qin, Y, Wang, J, Li, L, Wu, D, Ha, Y.
Deposit date:2014-07-09
Release date:2015-09-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Resolution of structure of PIP5K1A reveals molecular mechanism for its regulation by dimerization and dishevelled.
Nat Commun, 6, 2015
6KLK
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BU of 6klk by Molmil
Crystal structure of the Pseudomonas aeruginosa dihydropyrimidinase complexed with 5-FU
Descriptor: 5-FLUOROURACIL, D-hydantoinase/dihydropyrimidinase, ZINC ION
Authors:Huang, Y.H, Chen, I.C, Huang, C.Y.
Deposit date:2019-07-30
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.759 Å)
Cite:Crystal structure of dihydropyrimidinase in complex with anticancer drug 5-fluorouracil.
Biochem.Biophys.Res.Commun., 519, 2019
4SDH
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BU of 4sdh by Molmil
HIGH RESOLUTION CRYSTALLOGRAPHIC ANALYSIS OF A COOPERATIVE DIMERIC HEMOGLOBIN
Descriptor: HEMOGLOBIN I (DEOXY), PROTOPORPHYRIN IX CONTAINING FE
Authors:Royerjunior, W.E.
Deposit date:1993-06-23
Release date:1993-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-resolution crystallographic analysis of a co-operative dimeric hemoglobin.
J.Mol.Biol., 235, 1994
1OG2
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BU of 1og2 by Molmil
Structure of human cytochrome P450 CYP2C9
Descriptor: CYTOCHROME P450 2C9, HEME C
Authors:Williams, P.A, Cosme, J, Ward, A, Angove, H.C, Matak Vinkovic, D, Jhoti, H.
Deposit date:2003-04-23
Release date:2003-07-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Human Cytochrome P450 2C9 with Bound Warfarin
Nature, 424, 2003
4OV5
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BU of 4ov5 by Molmil
Structure of HLA-DR1 with a bound peptide with non-optimal alanine in the P1 pocket
Descriptor: HLA class I histocompatibility antigen, A-2 alpha chain, HLA class II histocompatibility antigen, ...
Authors:Trenh, P, Yin, L, Stern, L.J.
Deposit date:2014-02-20
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Susceptibility to HLA-DM Protein Is Determined by a Dynamic Conformation of Major Histocompatibility Complex Class II Molecule Bound with Peptide.
J.Biol.Chem., 289, 2014
4TSZ
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BU of 4tsz by Molmil
Crystal structure of DNA polymerase sliding clamp from Pseudomonas aeruginosa with ligand
Descriptor: ACE-GLN-ALC-ASP-LEU-ZCL peptide, DNA polymerase III subunit beta
Authors:Olieric, V, Burnouf, D, Ennifar, E, Wolff, P.
Deposit date:2014-06-19
Release date:2014-09-10
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Differential Modes of Peptide Binding onto Replicative Sliding Clamps from Various Bacterial Origins.
J.Med.Chem., 57, 2014
4OF7
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BU of 4of7 by Molmil
Crystal Structure of SYG-1 D1, Crystal Form 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein SYG-1, isoform b, ...
Authors:Ozkan, E, Garcia, K.C.
Deposit date:2014-01-14
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis.
Cell(Cambridge,Mass.), 156, 2014
4OIB
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BU of 4oib by Molmil
Crystal Structure of ICAM-5 D1-D4 ectodomain fragment, Space Group R3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Intercellular adhesion molecule 5, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Recacha, R, Jimenez, D, Tian, L, Barredo, R, Ghamberg, C, Casasnovas, J.M.
Deposit date:2014-01-19
Release date:2014-07-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.503 Å)
Cite:Crystal structures of an ICAM-5 ectodomain fragment show electrostatic-based homophilic adhesions.
Acta Crystallogr.,Sect.D, 70, 2014
1OG5
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BU of 1og5 by Molmil
Structure of human cytochrome P450 CYP2C9
Descriptor: CYTOCHROME P450 2C9, HEME C, S-WARFARIN
Authors:Williams, P.A, Cosme, J, Ward, A, Angove, H.C, Matak Vinkovic, D, Jhoti, H.
Deposit date:2003-04-24
Release date:2003-07-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure of Human Cytochrome P450 2C9 with Bound Warfarin
Nature, 424, 2003
3GUG
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BU of 3gug by Molmil
Crystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5-dichlorosalicylic acid
Descriptor: 3,5-dichloro-2-hydroxybenzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Dhagat, U, El-Kabbani, O.
Deposit date:2009-03-30
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5-dichlorosalicylic acid
To be Published
2VN0
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BU of 2vn0 by Molmil
CYP2C8DH COMPLEXED WITH TROGLITAZONE
Descriptor: (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, CYTOCHROME P450 2C8, PALMITIC ACID, ...
Authors:Schoch, G.A, Yano, J.K, Sansen, S, Stout, C.D, Johnson, E.F.
Deposit date:2008-01-30
Release date:2008-04-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid.
J. Biol. Chem., 283, 2008
6KHJ
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BU of 6khj by Molmil
Supercomplex for electron transfer
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Pan, X, Cao, D, Xie, F, Zhang, X, Li, M.
Deposit date:2019-07-15
Release date:2020-02-12
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for electron transport mechanism of complex I-like photosynthetic NAD(P)H dehydrogenase.
Nat Commun, 11, 2020
5UZL
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BU of 5uzl by Molmil
Brassica napus DGAT1 exosite
Descriptor: O-acyltransferase
Authors:Acedo, J.Z, Vederas, J.C.
Deposit date:2017-02-26
Release date:2018-01-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Diacylglycerol Acyltransferase 1 Is Regulated by Its N-Terminal Domain in Response to Allosteric Effectors.
Plant Physiol., 175, 2017

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