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4PZ5
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BU of 4pz5 by Molmil
Crystal structure of the second and third fibronectin F1 modules in complex with a fragment of BBK32 from Borrelia burgdorferi
Descriptor: Fibronectin, Fibronectin-binding protein BBK32
Authors:Harris, G, Potts, J.R.
Deposit date:2014-03-28
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Borrelia burgdorferi Protein BBK32 Binds to Soluble Fibronectin via the N-terminal 70-kDa Region, Causing Fibronectin to Undergo Conformational Extension.
J.Biol.Chem., 289, 2014
4PZD
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BU of 4pzd by Molmil
Crystal structure of (S)-3-hydroxybutyryl-CoA dehydrogenase PaaH1 in complex with NAD+
Descriptor: 3-Hydroxyacyl-CoA dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kim, J, Chang, J.H, Kim, K.J.
Deposit date:2014-03-29
Release date:2015-02-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal structure and biochemical properties of the (S)-3-hydroxybutyryl-CoA dehydrogenase PaaH1 from Ralstonia eutropha
Biochem.Biophys.Res.Commun., 448, 2014
7EVN
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BU of 7evn by Molmil
The cryo-EM structure of the DDX42-SF3b complex
Descriptor: ATP-dependent RNA helicase DDX42, PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, ...
Authors:Zhang, X, Zhan, X, Shi, Y.
Deposit date:2021-05-21
Release date:2022-08-03
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural insights into branch site proofreading by human spliceosome
Nat.Struct.Mol.Biol., 2024
4QIA
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BU of 4qia by Molmil
Crystal structure of human insulin degrading enzyme (ide) in complex with inhibitor N-benzyl-N-(carboxymethyl)glycyl-L-histidine
Descriptor: Insulin-degrading enzyme, N-benzyl-N-(carboxymethyl)glycyl-L-histidine, ZINC ION
Authors:Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J.
Deposit date:2014-05-30
Release date:2015-05-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.202 Å)
Cite:Structure-activity relationships of imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, dual binders of human insulin-degrading enzyme.
Eur.J.Med.Chem., 90, 2015
4Q3Z
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BU of 4q3z by Molmil
Crystal structure of C. violaceum phenylalanine hydroxylase D139K mutation
Descriptor: COBALT (II) ION, Phenylalanine-4-hydroxylase
Authors:Ronau, J.A, Abu-Omar, M.M, Das, C.
Deposit date:2014-04-12
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A conserved acidic residue in phenylalanine hydroxylase contributes to cofactor affinity and catalysis.
Biochemistry, 53, 2014
4Q4Q
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BU of 4q4q by Molmil
tRNA-Guanine Transglycosylase (TGT) in Complex with 2-[(Thiophen-2-ylmethyl)amino]-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: 2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-15
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of a Flat Structure-Activity Relationship for Inhibition of a tRNA-Modifying Enzyme.
J.Med.Chem., 57, 2014
1U1U
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BU of 1u1u by Molmil
A. thaliana cobalamine independent methionine synthase
Descriptor: 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, SULFATE ION, ZINC ION
Authors:Ferrer, J.-L, Ravanel, S, Robert, M, Dumas, R.
Deposit date:2004-07-16
Release date:2004-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structures of cobalamin-independent methionine synthase complexed with zinc, homocysteine, and methyltetrahydrofolate
J.Biol.Chem., 279, 2004
4Q5E
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BU of 4q5e by Molmil
Shigella Effector Kinase OspG bound to E2-Ub UbcH7-Ub Conjugate
Descriptor: Polyubiquitin, Protein kinase OspG, Ubiquitin-conjugating enzyme E2 L3
Authors:Cygler, M, Grishin, A.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2014-04-16
Release date:2014-07-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.869 Å)
Cite:Structural Basis for the Inhibition of Host Protein Ubiquitination by Shigella Effector Kinase OspG.
Structure, 22, 2014
7FB9
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BU of 7fb9 by Molmil
Crystal Structure of Human Cu, Zn Superoxide Dismutase (SOD1)
Descriptor: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Baek, Y, Ha, N.-C.
Deposit date:2021-07-08
Release date:2022-10-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural analysis of the overoxidized Cu/Zn-superoxide dismutase in ROS-induced ALS filament formation.
Commun Biol, 5, 2022
7FGQ
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BU of 7fgq by Molmil
Crystal structure of Thymidylate kinase with TMP and its low-resolution (SAXS) solution structure from Brugia malayi
Descriptor: THYMIDINE-5'-PHOSPHATE, dTMP kinase
Authors:Ramachandran, R, Vishwakarma, J, Sharma, V.K.
Deposit date:2021-07-27
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of Thymidylate kinase with TMP and its low-resolution (SAXS) solution structure from Brugia malayi
To Be Published
7FDY
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BU of 7fdy by Molmil
Structure of OmpF1
Descriptor: Porin OmpF, ZINC ION
Authors:Jeong, W.J, Song, W.J.
Deposit date:2021-07-18
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Design and directed evolution of noncanonical beta-stereoselective metalloglycosidases.
Nat Commun, 13, 2022
4Q0B
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BU of 4q0b by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with gap-RNA/DNA and Nevirapine
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3', 5'-R(*AP*UP*GP*GP*UP*CP*GP*GP*CP*GP*CP*CP*CP*G)-3', ...
Authors:Das, K, Martinez, S.E, Arnold, E.
Deposit date:2014-04-01
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of HIV-1 RT-RNA/DNA ternary complexes with dATP and nevirapine reveal conformational flexibility of RNA/DNA: insights into requirements for RNase H cleavage.
Nucleic Acids Res., 42, 2014
7FCV
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BU of 7fcv by Molmil
Cryo-EM structure of the Potassium channel AKT1 mutant from Arabidopsis thaliana
Descriptor: PHOSPHATIDYLETHANOLAMINE, POTASSIUM ION, Potassium channel AKT1
Authors:Yang, G.H, Lu, Y.M, Jia, Y.T, Zhang, Y.M, Tang, R.F, Xu, X, Li, X.M, Lei, J.L.
Deposit date:2021-07-15
Release date:2022-11-09
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for the activity regulation of a potassium channel AKT1 from Arabidopsis.
Nat Commun, 13, 2022
4QBX
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BU of 4qbx by Molmil
Human Aldose Reductase complexed with a ligand with an IDD structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) at 0.98 A
Descriptor: Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-05-09
Release date:2015-07-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation
To be Published
7EWH
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BU of 7ewh by Molmil
Crystal structure of human PHGDH in complex with Homoharringtonine
Descriptor: (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, D-3-phosphoglycerate dehydrogenase
Authors:Hsieh, C.H, Cheng, Y.S, Lee, Y.S, Huang, H.C, Juan, H.F.
Deposit date:2021-05-25
Release date:2022-12-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Homoharringtonine as a PHGDH inhibitor: Unraveling metabolic dependencies and developing a potent therapeutic strategy for high-risk neuroblastoma.
Biomed Pharmacother, 166, 2023
4PVV
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BU of 4pvv by Molmil
Micobacterial Adenosine Kinase in complex with inhibitor
Descriptor: 5-ethynyl-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Adenosine kinase
Authors:Pichova, I, Hocek, M, Dostal, J, Rezacova, P.
Deposit date:2014-03-18
Release date:2014-11-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides
J.Med.Chem., 57, 2014
1UCC
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BU of 1ucc by Molmil
Crystal structure of the Ribonuclease MC1 from bitter gourd seeds complexed with 3'-UMP.
Descriptor: 3'-URIDINEMONOPHOSPHATE, Ribonuclease MC
Authors:Suzuki, A, Yao, M, Tanaka, I, Numata, T, Kikukawa, S, Yamasaki, N, Kimura, M.
Deposit date:2003-04-10
Release date:2003-04-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structures of the ribonuclease MC1 from bitter gourd seeds, complexed with 2'-UMP or 3'-UMP, reveal structural basis for uridine specificity
Biochem.Biophys.Res.Commun., 275, 2000
4PZ3
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BU of 4pz3 by Molmil
High-resolution crystal structure of the human CD44 hyaluronan binding domain complex with undefined peptides
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CD44 antigen, ...
Authors:Liu, L.K, Finzel, B.
Deposit date:2014-03-28
Release date:2014-09-17
Last modified:2014-10-15
Method:X-RAY DIFFRACTION (1.083 Å)
Cite:High-resolution crystal structures of alternate forms of the human CD44 hyaluronan-binding domain reveal a site for protein interaction.
Acta Crystallogr F Struct Biol Commun, 70, 2014
7EXA
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BU of 7exa by Molmil
Structure of mumps virus nucleoprotein without C-arm
Descriptor: Nucleoprotein, RNA (5'-R(P*UP*UP*UP*UP*UP*U)-3')
Authors:Shen, Q, Shan, H, Zhang, N, Qin, Y.
Deposit date:2021-05-26
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural plasticity of mumps virus nucleocapsids with cryo-EM structures.
Commun Biol, 4, 2021
1UGJ
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BU of 1ugj by Molmil
Solution structure of a murine hypothetical protein from RIKEN cDNA 2310057J16
Descriptor: RIKEN cDNA 2310057J16 protein
Authors:Nagashima, T, Hayashi, F, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-06-16
Release date:2004-08-03
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of a murine hypothetical protein from RIKEN cDNA 2310057J16
To be Published
4Q8V
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BU of 4q8v by Molmil
tRNA-Guanine Transglycosylase (TGT) in Complex with 4-[2-({6-Amino-8-oxo-1H,7H,8H-imidazo[4,5-g]quinazolin-2-yl}amino)ethyl]benzonitrile
Descriptor: 4-{2-[(6-amino-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzonitrile, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-28
Release date:2015-05-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.396 Å)
Cite:Addressing a New Subpocket of TGT by Elongated 2-Amino-lin-benzoguanines
To be Published
7FTW
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BU of 7ftw by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-bromo-2-hydroxy-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide
Descriptor: 5-bromo-2-hydroxy-N-{[(3M)-3-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}benzamide, Cyclic GMP-AMP synthase, ZINC ION
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.208 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
1UCV
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BU of 1ucv by Molmil
Sterile alpha motif (SAM) domain of ephrin type-A receptor 8
Descriptor: EPHRIN TYPE-A RECEPTOR 8
Authors:Goroncy, A, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-04-23
Release date:2004-05-11
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR Structure of Sterile alpha motif (SAM) domain of ephrin type-A receptor 8
To be Published
4Q30
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BU of 4q30 by Molmil
Nitrowillardiine bound to the ligand binding domain of GluA2 at pH 3.5
Descriptor: 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine, Glutamate receptor 2 CHIMERIC PROTEIN, ZINC ION
Authors:Ahmed, A.H, Oswald, R.E.
Deposit date:2014-04-10
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Thermodynamics and mechanism of the interaction of willardiine partial agonists with a glutamate receptor: implications for drug development.
Biochemistry, 53, 2014
7FU1
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BU of 7fu1 by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-[3-[[(5-bromo-2-hydroxybenzoyl)amino]methyl]phenyl]-2-methylpyrazole-3-carboxylic acid
Descriptor: (3P)-3-{3-[(5-bromo-2-hydroxybenzamido)methyl]phenyl}-1-methyl-1H-pyrazole-5-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.074 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published

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