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5DC3
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BU of 5dc3 by Molmil
Complex of yeast 80S ribosome with non-modified eIF5A
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:Melnikov, S, Mailliot, J, Shin, B.-S, Rigger, L, Yusupova, G, Micura, R, Dever, T.E, Yusupov, M.
Deposit date:2015-08-23
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Crystal Structure of Hypusine-Containing Translation Factor eIF5A Bound to a Rotated Eukaryotic Ribosome.
J.Mol.Biol., 428, 2016
2HM9
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BU of 2hm9 by Molmil
Solution structure of dihydrofolate reductase complexed with trimethoprim, 33 structures
Descriptor: 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZYL)-PYRIMIDIN-1-IUM, Dihydrofolate reductase
Authors:Polshakov, V.I, Birdsall, B.
Deposit date:2006-07-11
Release date:2007-06-05
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structures of apo L.casei dihydrofolate reductase and its complexes with trimethoprim and NADPH. Contributions to positive cooperative binding from ligand-induced refolding, conformational changes and interligand hydrophobic interactions
Biochemistry, 2011
1AMM
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BU of 1amm by Molmil
1.2 ANGSTROM STRUCTURE OF GAMMA-B CRYSTALLIN AT 150K
Descriptor: GAMMA B-CRYSTALLIN
Authors:Kumaraswamy, V.S, Lindley, P.F, Slingsby, C, Glover, I.D.
Deposit date:1996-03-20
Release date:1996-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:An eye lens protein-water structure: 1.2 A resolution structure of gammaB-crystallin at 150 K.
Acta Crystallogr.,Sect.D, 52, 1996
3PBU
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BU of 3pbu by Molmil
Crystal structure of the mutant I96S of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-azauridine 5'-monophosphate
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, Orotidine 5'-monophosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Iiams, V, Wood, B.M, Gerlt, J.A, Almo, S.C.
Deposit date:2010-10-21
Release date:2011-09-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.299 Å)
Cite:Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: importance of residues in the orotate binding site.
Biochemistry, 50, 2011
7UJ2
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BU of 7uj2 by Molmil
OspC Type B
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Outer surface protein C
Authors:Rudolph, M.J, Mantis, N.
Deposit date:2022-03-30
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Structural Elucidation of a Protective B Cell Epitope on Outer Surface Protein C (OspC) of the Lyme Disease Spirochete, Borreliella burgdorferi.
Mbio, 14, 2023
5V61
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BU of 5v61 by Molmil
Phospho-ERK2 bound to bivalent inhibitor SBP2
Descriptor: 2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid, 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, GLYCEROL, ...
Authors:Lechtenberg, B.C, Riedl, S.J.
Deposit date:2017-03-15
Release date:2017-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors.
ACS Med Chem Lett, 8, 2017
3PBV
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BU of 3pbv by Molmil
Crystal structure of the mutant I96T of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-azauridine 5'-monophosphate
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, GLYCEROL, Orotidine 5'-monophosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Iiams, V, Wood, B.M, Gerlt, J.A, Almo, S.C.
Deposit date:2010-10-21
Release date:2011-09-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: importance of residues in the orotate binding site.
Biochemistry, 50, 2011
1SVC
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BU of 1svc by Molmil
NFKB P50 HOMODIMER BOUND TO DNA
Descriptor: DNA (5'-D(*AP*GP*AP*TP*GP*GP*GP*GP*AP*AP*TP*CP*CP*CP*CP*TP*A P*GP*A)-3'), PROTEIN (NUCLEAR FACTOR KAPPA-B (NF-KB))
Authors:Mueller, C.W, Harrison, S.C.
Deposit date:1995-11-27
Release date:1996-06-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the NF-kappa B p50 homodimer bound to DNA.
Nature, 373, 1995
7VKM
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BU of 7vkm by Molmil
Crystal structure of TrkA (G595R) kinase domain
Descriptor: Tyrosine-protein kinase receptor
Authors:Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A.
Deposit date:2021-09-30
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
7VKO
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BU of 7vko by Molmil
Crystal structure of TrkA kinase with repotrectinib
Descriptor: Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor
Authors:Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A.
Deposit date:2021-09-30
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
7VKN
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BU of 7vkn by Molmil
Crystal structure of TrkA (G595R) kinase with repotrectinib
Descriptor: Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor
Authors:Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A.
Deposit date:2021-09-30
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
7VUP
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BU of 7vup by Molmil
Structure of NF-kB p52 homodimer bound to +1/-1 swap P-Selectin kB DNA fragment
Descriptor: DNA (5'-D(*AP*AP*GP*GP*GP*GP*GP*AP*GP*TP*CP*CP*CP*CP*TP*TP*G)-3'), DNA (5'-D(*CP*AP*AP*GP*GP*GP*GP*AP*CP*TP*CP*CP*CP*CP*CP*TP*T)-3'), Nuclear factor NF-kappa-B p52 subunit
Authors:Meshcheryakov, V.A, Wang, V.Y.-F.
Deposit date:2021-11-04
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structures of NF-kappa B p52 homodimer-DNA complexes rationalize binding mechanisms and transcription activation.
Elife, 12, 2023
7VUQ
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BU of 7vuq by Molmil
Structure of NF-kB p52 homodimer bound to A/T-centric P-Selectin kB DNA fragment
Descriptor: DNA (5'-D(*CP*AP*AP*GP*GP*GP*GP*TP*TP*AP*CP*CP*CP*CP*CP*TP*T)-3'), DNA (5'-D(*GP*AP*AP*GP*GP*GP*GP*GP*TP*AP*AP*CP*CP*CP*CP*TP*TP*G)-3'), Nuclear factor NF-kappa-B p52 subunit
Authors:Meshcheryakov, V.A, Wang, V.Y.-F.
Deposit date:2021-11-04
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of NF-kappa B p52 homodimer-DNA complexes rationalize binding mechanisms and transcription activation.
Elife, 12, 2023
8D6F
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BU of 8d6f by Molmil
Crystal Structure of Human Myt1 Kinase domain Bounded with Eph receptor inhibitor / compound 41
Descriptor: (1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, SULFATE ION
Authors:Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F.
Deposit date:2022-06-06
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
1JPF
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BU of 1jpf by Molmil
Crystal Structure Of The LCMV Peptidic Epitope Gp276 In Complex With The Murine Class I Mhc Molecule H-2Db
Descriptor: BETA-2-MICROGLOBULIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, D-B ALPHA CHAIN, ...
Authors:Ciatto, C, Tissot, A.C, Tschopp, M, Capitani, G, Pecorari, F, Pluckthun, A, Grutter, M.G.
Deposit date:2001-08-02
Release date:2001-10-24
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Zooming in on the hydrophobic ridge of H-2D(b): implications for the conformational variability of bound peptides.
J.Mol.Biol., 312, 2001
1UN3
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BU of 1un3 by Molmil
CRYSTAL STRUCTURE OF HUMAN ANGIOGENIN VARIANT T44D
Descriptor: ANGIOGENIN
Authors:Holloway, D.E, Chavali, G.B, Acharya, K.R.
Deposit date:2003-09-04
Release date:2004-02-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic Studies on Structural Features that Determine the Enzymatic Specificity and Potency of Human Angiogenin: Thr44, Thr80 and Residues 38-41
Biochemistry, 43, 2004
5ZAJ
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BU of 5zaj by Molmil
uPA-31F
Descriptor: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B
Authors:Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M.
Deposit date:2018-02-07
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
1B1Y
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BU of 1b1y by Molmil
SEVENFOLD MUTANT OF BARLEY BETA-AMYLASE
Descriptor: PROTEIN (BETA-AMYLASE), alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose
Authors:Mikami, B, Yoon, H.J, Yoshigi, N.
Deposit date:1998-11-25
Release date:1998-12-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of the sevenfold mutant of barley beta-amylase with increased thermostability at 2.5 A resolution.
J.Mol.Biol., 285, 1999
1GFZ
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BU of 1gfz by Molmil
FLAVOPIRIDOL INHIBITS GLYCOGEN PHOSPHORYLASE BY BINDING AT THE INHIBITOR SITE
Descriptor: CAFFEINE, GLYCOGEN PHOSPHORYLASE, INOSINIC ACID, ...
Authors:Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Tsitsanou, K.E, Johnson, L.N.
Deposit date:2000-06-29
Release date:2000-07-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site.
J.Biol.Chem., 275, 2000
1B8X
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BU of 1b8x by Molmil
GLUTATHIONE S-TRANSFERASE FUSED WITH THE NUCLEAR MATRIX TARGETING SIGNAL OF THE TRANSCRIPTION FACTOR AML-1
Descriptor: PROTEIN (AML-1B)
Authors:Tang, L, Guo, B, Van Wijnen, A.J, Lian, J.B, Stein, J.L, Stein, G.S, Zhou, G.W.
Deposit date:1999-02-03
Release date:1999-04-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Preliminary crystallographic study of glutathione S-transferase fused with the nuclear matrix targeting signal of the transcription factor AML-1/CBF-alpha2.
J.Struct.Biol., 123, 1998
1JLW
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BU of 1jlw by Molmil
Anopheles dirus species B glutathione S-transferases 1-4
Descriptor: glutathione transferase GST1-4
Authors:Oakley, A.J, Harnnoi, T, Udomsinprasert, R, Jirajaroenrat, K, Ketterman, A.J, Wilce, M.C.
Deposit date:2001-07-16
Release date:2002-07-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The crystal structures of glutathione S-transferases isozymes 1-3 and 1-4 from Anopheles dirus species B.
Protein Sci., 10, 2001
1UN4
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BU of 1un4 by Molmil
CRYSTAL STRUCTURE OF HUMAN ANGIOGENIN VARIANT T80A
Descriptor: ANGIOGENIN, CITRIC ACID
Authors:Holloway, D.E, Chavali, G.B, Acharya, K.R.
Deposit date:2003-09-04
Release date:2004-02-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic Studies on Structural Features that Determine the Enzymatic Specificity and Potency of Human Angiogenin: Thr44, Thr80 and Residues 38-41
Biochemistry, 43, 2004
2L1Z
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BU of 2l1z by Molmil
NMR Structure of human insulin mutant GLY-B20-D-ALA, GLY-B23-D-ALA PRO-B28-LYS, LYS-B29-PRO, 20 Structures
Descriptor: Insulin A chain, Insulin B chain
Authors:Wan, Z.L, Hua, Q.X, Huang, K, Hu, S.Q, Philips, N.B, Katsoyannis, J.W, Weiss, M.A.
Deposit date:2010-08-09
Release date:2011-08-31
Last modified:2020-02-05
Method:SOLUTION NMR
Cite:Chiral Protein Engineering and its Application in G Health
To be Published
6MWY
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BU of 6mwy by Molmil
The Prp8 intein of Cryptococcus gattii
Descriptor: Pre-mRNA-processing-splicing factor 8
Authors:Li, Z, Fu, B, Green, C.M, Lang, Y, Zhang, J, Oven, T.S, Li, X, Callahan, B.P, Chaturvedi, S, Belfort, M, Liao, G, Li, H.
Deposit date:2018-10-30
Release date:2019-11-06
Last modified:2020-05-20
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:Cisplatin protects mice from challenge ofCryptococcus neoformansby targeting the Prp8 intein.
Emerg Microbes Infect, 8, 2019
2VMI
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BU of 2vmi by Molmil
The structure of seleno-methionine labelled CBM51 from Clostridium perfringens GH95
Descriptor: CALCIUM ION, FIBRONECTIN TYPE III DOMAIN PROTEIN
Authors:Gregg, K, Finn, R, Abbott, D.W, Boraston, A.B.
Deposit date:2008-01-25
Release date:2008-02-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Divergent Modes of Glycan Recognition by a New Family of Carbohydrate-Binding Modules
J.Biol.Chem., 283, 2008

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