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1YCT
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BU of 1yct by Molmil
Clustered abasic lesions in dna: nmr solution structure of clustered bistranded +1 abasic lesion
Descriptor: 5'-D(*CP*GP*CP*AP*TP*GP*(3DR)P*GP*TP*AP*CP*GP*C)-3', 5'-D(*GP*CP*GP*TP*AP*(3DR)P*CP*CP*AP*TP*GP*CP*G)-3'
Authors:Hazel, R.D, de los Santos, C.
Deposit date:2004-12-23
Release date:2006-01-10
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR solution structures of bistranded abasic site lesions in DNA.
Biochemistry, 47, 2008
8OXO
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BU of 8oxo by Molmil
ATM(Q2971A) dimeric C-terminal region activated by oxidative stress in complex with Mg AMP-PNP and p53 peptide
Descriptor: Cellular tumor antigen p53, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Howes, A.C, Perisic, O, Williams, R.L.
Deposit date:2023-05-02
Release date:2023-09-27
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress.
Sci Adv, 9, 2023
4X15
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BU of 4x15 by Molmil
JC Mad-1 polyomavirus VP1 in complex with GM2 oligosaccharide
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1, ...
Authors:Stroh, L.J, Stehle, T.
Deposit date:2014-11-24
Release date:2015-04-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity.
J.Virol., 89, 2015
7PLP
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BU of 7plp by Molmil
Human Teneurin-4 C-rich domain
Descriptor: CALCIUM ION, FE (III) ION, NICKEL (II) ION, ...
Authors:Beugelink, J.W, Meijer, D.H, Janssen, B.J.C.
Deposit date:2021-09-01
Release date:2022-02-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Teneurin4 dimer structures reveal a calcium-stabilized compact conformation supporting homomeric trans-interactions.
Embo J., 41, 2022
4X0Z
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BU of 4x0z by Molmil
JC Polyomavirus genotype 3 VP1 in complex with GM1 oligosaccharide
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein, ...
Authors:Stroh, L.J, Stehle, T.
Deposit date:2014-11-24
Release date:2015-04-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity.
J.Virol., 89, 2015
4X17
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BU of 4x17 by Molmil
JC Mad-1 polyomavirus VP1 in complex with GD1b oligosaccharide
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1, ...
Authors:Stroh, L.J, Stehle, T.
Deposit date:2014-11-24
Release date:2015-04-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity.
J.Virol., 89, 2015
4X10
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BU of 4x10 by Molmil
JC Polyomavirus genotype 3 VP1 in complex with GM2 oligosaccharide
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein, ...
Authors:Stroh, L.J, Stehle, T.
Deposit date:2014-11-24
Release date:2015-04-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity.
J.Virol., 89, 2015
8IED
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BU of 8ied by Molmil
Cryo-EM structure of GPR156-miniGo-scFv16 complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(o) subunit alpha, ...
Authors:Shin, J, Park, J, Cho, Y.
Deposit date:2023-02-15
Release date:2024-02-14
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Constitutive activation mechanism of a class C GPCR.
Nat.Struct.Mol.Biol., 31, 2024
4X16
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BU of 4x16 by Molmil
JC Mad-1 polyomavirus VP1 in complex with GD1a oligosaccharide
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1, ...
Authors:Stroh, L.J, Stehle, T.
Deposit date:2014-11-24
Release date:2015-04-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity.
J.Virol., 89, 2015
8ATR
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BU of 8atr by Molmil
Small molecular stabilizer for C-RAF (pS259) and 14-3-3 (1075297)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, CHLORIDE ION, ...
Authors:Visser, E.J, Overmans, M.J.A.M, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-24
Release date:2023-09-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8ATS
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BU of 8ats by Molmil
Small molecular stabilizer for C-RAF (pS259) and 14-3-3 (1075306)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, CHLORIDE ION, ...
Authors:Visser, E.J, Overmans, M.J.A.M, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-24
Release date:2023-09-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8IEQ
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BU of 8ieq by Molmil
Cryo-EM structure of G-protein free GPR156
Descriptor: Probable G-protein coupled receptor 156, [(2R)-3-[(E)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
Authors:Shin, J, Park, J, Cho, Y.
Deposit date:2023-02-15
Release date:2024-02-14
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Constitutive activation mechanism of a class C GPCR.
Nat.Struct.Mol.Biol., 31, 2024
5K64
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BU of 5k64 by Molmil
Crystal structure of VEGF binding IgG1-Fc (Fcab 448)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[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, GLYCEROL, ...
Authors:Humm, A, Lobner, E, Kitzmuller, M, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-05-24
Release date:2017-09-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Two-faced Fcab prevents polymerization with VEGF and reveals thermodynamics and the 2.15 angstrom crystal structure of the complex.
MAbs, 9, 2017
6MAV
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BU of 6mav by Molmil
Complex of tissue inhibitor of metalloproteinase-1 (TIMP-1) mutant L34G with matrix metalloproteinase-3 catalytic domain (MMP-3cd)
Descriptor: CALCIUM ION, Metalloproteinase inhibitor 1, Stromelysin-1, ...
Authors:Raeeszadeh-Sarmazdeh, M, Radisky, E.
Deposit date:2018-08-28
Release date:2019-05-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Directed evolution of the metalloproteinase inhibitor TIMP-1 reveals that its N- and C-terminal domains cooperate in matrix metalloproteinase recognition.
J.Biol.Chem., 294, 2019
6MOI
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BU of 6moi by Molmil
Dimeric DARPin C_angle_R5 complex with EpoR
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dimeric DARPing CCR5 (C_angle_R5), ...
Authors:Jude, K.M, Mohan, K, Garcia, K.C, Guo, Y.
Deposit date:2018-10-04
Release date:2019-06-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.065 Å)
Cite:Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
4XKZ
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BU of 4xkz by Molmil
Crystal structure of the C-terminal anticodon loop binding domain of a valyl-tRNA synthetase from Pseudomonas aeruginosa
Descriptor: IODIDE ION, TRIETHYLENE GLYCOL, Valine-tRNA ligase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-01-12
Release date:2015-02-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the C-terminal anticodon loop binding domain of a valyl-tRNA synthetase from Pseudomonas aeruginosa.
To Be Published
6MSC
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BU of 6msc by Molmil
Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors
Descriptor: 8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline, MAGNESIUM ION, ZINC ION, ...
Authors:Jakob, C.G.
Deposit date:2018-10-16
Release date:2019-01-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Novel, potent, selective, and brain penetrant phosphodiesterase 10A inhibitors.
Bioorg. Med. Chem. Lett., 29, 2019
8C6Z
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BU of 8c6z by Molmil
necrotic enteritis associated Clostridium p. chitinase F8UNI4 in complex with inhibitor bisdionin C
Descriptor: 1,1'-PROPANE-1,3-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE), CADMIUM ION, COBALT (II) ION, ...
Authors:Bloch, Y, Savvides, S.N.
Deposit date:2023-01-12
Release date:2023-05-31
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Clostridium perfringens chitinases, key enzymes during early stages of necrotic enteritis in broiler chickens.
Plos Pathog., 20, 2024
6ZSK
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BU of 6zsk by Molmil
Cytochrome c prime beta from Methylococcus capsulatus (Bath): CO complex
Descriptor: CARBON MONOXIDE, Cytochrome c, GLYCEROL, ...
Authors:Adams, H.R, Hough, M.A.
Deposit date:2020-07-15
Release date:2021-07-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:to be published
To Be Published
107D
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BU of 107d by Molmil
SOLUTION STRUCTURE OF THE COVALENT DUOCARMYCIN A-DNA DUPLEX COMPLEX
Descriptor: 4-HYDROXY-2,8-DIMETHYL-1-OXO-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-1,2,3,6,7,8-HEXAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER, DNA (5'-D(*CP*CP*TP*TP*TP*TP*C)-3'), DNA (5'-D(*GP*AP*AP*AP*AP*GP*G)-3')
Authors:Lin, C.H, Patel, D.J.
Deposit date:1995-01-17
Release date:1995-05-08
Last modified:2024-03-13
Method:SOLUTION NMR
Cite:Solution structure of the covalent duocarmycin A-DNA duplex complex.
J.Mol.Biol., 248, 1995
8GVJ
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BU of 8gvj by Molmil
Crystal structure of cMET kinase domain bound by D6808
Descriptor: (1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione, Hepatocyte growth factor receptor
Authors:Chen, Y.H, Qu, L.Z.
Deposit date:2022-09-15
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
5F6D
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BU of 5f6d by Molmil
Crystal structure of Ubc9 (K48A/K49A/E54A) complexed with Fragment 6
Descriptor: 6~{H}-benzo[c][1,2]benzothiazine 5,5-dioxide, SUMO-conjugating enzyme UBC9
Authors:Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S.
Deposit date:2015-12-05
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.553 Å)
Cite:Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
5EV4
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BU of 5ev4 by Molmil
Structure IV of Intact U2AF65 Recognizing the 3' Splice Site Signal
Descriptor: DNA/RNA (5'-R(P*UP*UP*UP*(UD)P*UP*U)-D(P*(BRU)P*(UD))-R(P*C)-3'), GLYCEROL, Splicing factor U2AF 65 kDa subunit
Authors:Agrawal, A.A, Jenkins, J.L, Kielkopf, C.L.
Deposit date:2015-11-19
Release date:2016-02-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:An extended U2AF(65)-RNA-binding domain recognizes the 3' splice site signal.
Nat Commun, 7, 2016
8VIV
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BU of 8viv by Molmil
Crystal structure of FBF-2 RBD in complex with gld-1 FBEa* RNA
Descriptor: Fem-3 mRNA-binding factor 2, RNA (5'-R(*CP*AP*UP*GP*UP*UP*GP*CP*CP*AP*U)-3')
Authors:Qiu, C, Hall, T.M.T.
Deposit date:2024-01-05
Release date:2024-11-27
Last modified:2025-06-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A higher order PUF complex is central to regulation of C. elegans germline stem cells.
Nat Commun, 16, 2025
5I9D
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BU of 5i9d by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U8A2 in complex with its target RNA U8A2
Descriptor: RNA (5'-R(*GP*GP*GP*G*UP*UP*UP*UP*AP*AP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8A2
Authors:Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P.
Deposit date:2016-02-20
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016

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