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6O6C
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BU of 6o6c by Molmil
RNA polymerase II elongation complex arrested at a CPD lesion
Descriptor: DNA (27-MER), DNA (5'-D(P*GP*GP*AP*GP*AP*AP*GP*GP*AP*GP*CP*AP*GP*AP*GP*C)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Lahiri, I, Leshziner, A.E.
Deposit date:2019-03-05
Release date:2019-06-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:3.1 angstrom structure of yeast RNA polymerase II elongation complex stalled at a cyclobutane pyrimidine dimer lesion solved using streptavidin affinity grids.
J.Struct.Biol., 207, 2019
6HOV
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BU of 6hov by Molmil
Crystal Structure of BRD4 first bromodomain in complex with ferulic acid
Descriptor: 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Bromodomain-containing protein 4
Authors:Dalle Vedove, A, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
7BHJ
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BU of 7bhj by Molmil
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with DDD00084774
Descriptor: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, ~{N}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{H}-1,2,4-triazol-3-amine
Authors:Moynie, L, Naismith, J.H.
Deposit date:2021-01-11
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA)from Pseudomonas aeruginosa in complex with DDD00084774
To Be Published
8ZW0
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BU of 8zw0 by Molmil
Cryo-EM strcuture of Prostaglandin D2 Receptor DP1 activated by PGD2
Descriptor: CHOLESTEROL, 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, ...
Authors:Xu, J, Xu, Y, Wu, C, Xu, H.E.
Deposit date:2024-06-12
Release date:2025-05-28
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Molecular basis for ligand recognition and receptor activation of the prostaglandin D2 receptor DP1.
Proc.Natl.Acad.Sci.USA, 122, 2025
7NNB
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BU of 7nnb by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2,8-bis(trifluoromethyl)quinolin-4-ol.
Descriptor: 1,2-ETHANEDIOL, 2,8-bis(trifluoromethyl)quinolin-4-ol, Acetylglutamate kinase, ...
Authors:Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
Deposit date:2021-02-24
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.186 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
8RYO
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BU of 8ryo by Molmil
Structure of S2-198 TCR in complex with HLA-A*03:01 bound to ELFSYLIEK peptide
Descriptor: 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Beta-2-microglobulin, ...
Authors:Karuppiah, V.
Deposit date:2024-02-09
Release date:2024-09-04
Last modified:2025-02-12
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Broadening alloselectivity of T cell receptors by structure guided engineering.
Sci Rep, 14, 2024
8PH6
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BU of 8ph6 by Molmil
X-ray structure of the adduct formed upon reaction of Lysozyme with K2[Ru2(DPhF)(CO3)3] in condition B
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme C, Ru2(DPhF)(CO3)2(Formate), ...
Authors:Teran, A, Ferraro, G, Merlino, A.
Deposit date:2023-06-19
Release date:2023-09-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Steric hindrance and charge influence on the cytotoxic activity and protein binding properties of diruthenium complexes.
Int.J.Biol.Macromol., 253, 2023
1NC4
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BU of 1nc4 by Molmil
Crystal Structure of Monoclonal Antibody 2D12.5 Fab Complexed with Gd-DOTA
Descriptor: (S)-2-(4-NITROBENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-N,N',N'',N'''-TETRAACETATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Corneillie, T.M, Fisher, A.J, Meares, C.F.
Deposit date:2002-12-04
Release date:2003-12-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structures of two complexes of the rare-earth-DOTA-binding antibody 2D12.5: ligand generality from a chiral system.
J.Am.Chem.Soc., 125, 2003
8PXC
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BU of 8pxc by Molmil
Structure of Fap1, a domain of the accessory Sec-dependent serine-rich glycoprotein adhesin from Streptococcus oralis, solved at wavelength 3.06 A
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Fap1
Authors:El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Owen, C.D, Walsh, M.A, Wagner, A.
Deposit date:2023-07-23
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
7NLF
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BU of 7nlf by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in apo form.
Descriptor: 1,2-ETHANEDIOL, Acetylglutamate kinase, SULFATE ION
Authors:Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
Deposit date:2021-02-22
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
8AHH
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BU of 8ahh by Molmil
PAC FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: 5-cyano-~{N}-methyl-pyrazolo[1,5-a]pyridine-3-carboxamide, Serine/threonine-protein kinase PAK 4
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.037 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8AHG
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BU of 8ahg by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.885 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8ALP
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BU of 8alp by Molmil
Botulinum neurotoxin A6 cell binding domain crystal form II
Descriptor: 1,2-ETHANEDIOL, Bont/A1, DI(HYDROXYETHYL)ETHER
Authors:Gregory, K.S, Acharya, K.R, Liu, S.M.
Deposit date:2022-08-01
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structures of the Clostridium botulinum Neurotoxin A6 Cell Binding Domain Alone and in Complex with GD1a Reveal Significant Conformational Flexibility.
Int J Mol Sci, 23, 2022
8AHI
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BU of 8ahi by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-1,3-benzothiazole-6-carboxamide
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
5IMH
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BU of 5imh by Molmil
D31P mutant of C69-family cysteine dipeptidase from Lactobacillus farciminis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, COBALT (II) ION, ...
Authors:Kono, R, Watanabe, K.
Deposit date:2016-03-06
Release date:2017-03-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.471 Å)
Cite:A C69-family cysteine dipeptidase from Lactobacillus farciminis; substrate recognition mechanism and autoproteolytic mechanism in enzyme maturation
To Be Published
5ITP
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BU of 5itp by Molmil
Structure of the periplasmic binding protein NocT from A.tumefaciens in complex with octopine
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nopaline-binding periplasmic protein, ...
Authors:Vigouroux, A, Morera, S.
Deposit date:2016-03-17
Release date:2016-11-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fitness costs restrict niche expansion by generalist niche-constructing pathogens.
ISME J, 11, 2017
6ZC6
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BU of 6zc6 by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
Descriptor: 1,2-ETHANEDIOL, 5-bromanyl-2-(naphthalen-2-ylsulfonylamino)benzoic acid, Segment polarity protein dishevelled homolog DVL-3
Authors:Roske, Y, Heinemann, U, Oschkinat, H.
Deposit date:2020-06-09
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
8JHU
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BU of 8jhu by Molmil
Legionella effector protein SidI
Descriptor: Legionella pneumophila effector protein SidI
Authors:Wang, L, Subramanian, A, Mukherjee, S, Walter, P.
Deposit date:2023-05-25
Release date:2023-08-30
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:A Legionella toxin exhibits tRNA mimicry and glycosyl transferase activity to target the translation machinery and trigger a ribotoxic stress response.
Nat.Cell Biol., 25, 2023
8UL7
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BU of 8ul7 by Molmil
The structure of NanH in complex with Neu5Ac
Descriptor: 1,2-ETHANEDIOL, N-acetyl-alpha-neuraminic acid, Sialidase
Authors:Medley, B.J, Boraston, A.B.
Deposit date:2023-10-16
Release date:2024-09-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A "terminal" case of glycan catabolism: Structural and enzymatic characterization of the sialidases of Clostridium perfringens.
J.Biol.Chem., 300, 2024
7CAL
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BU of 7cal by Molmil
Cryo-EM Structure of the Hyperpolarization-Activated Inwardly Rectifying Potassium Channel KAT1 from Arabidopsis
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, Potassium channel KAT1
Authors:Li, S.Y, Yang, F, Sun, D.M, Zhang, Y, Zhang, M.G, Zhou, P, Liu, S.L, Zhang, Y.N, Zhang, L.H, Tian, C.L.
Deposit date:2020-06-09
Release date:2020-07-29
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of the hyperpolarization-activated inwardly rectifying potassium channel KAT1 from Arabidopsis.
Cell Res., 30, 2020
7C44
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BU of 7c44 by Molmil
Crystal structure of the p53-binding domain of human MdmX protein in complex with Nutlin3a
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, Protein Mdm4
Authors:Cheng, X.Y, Zhang, B.L, Kuang, Z.K, Yang, J, Li, Z.C, Yu, J.P, Zhao, Z.T, Cao, C.Z, Su, Z.D.
Deposit date:2020-05-15
Release date:2020-06-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the p53-binding domain of human MdmX protein in complex with Nutlin3a
To Be Published
1KZ2
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BU of 1kz2 by Molmil
Solution structure of the third helix of Antennapedia homeodomain derivative [W6F,W14F]
Descriptor: Antennapedia protein
Authors:Czajlik, A, Mesko, E, Penke, B, Perczel, A.
Deposit date:2002-02-06
Release date:2002-02-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Investigation of penetratin peptides. Part 1. The environment dependent conformational properties of penetratin and two of its derivatives.
J.Pept.Sci., 8, 2002
9GV3
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BU of 9gv3 by Molmil
Crystal structure of the complex between Nb474 mutant R53A,D125A and Trypanosoma congolense fructose-1,6-bisphosphate aldolase
Descriptor: ACETATE ION, Fructose-bisphosphate aldolase, GLYCEROL, ...
Authors:McNae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2024-09-21
Release date:2025-10-01
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:The role of water in tuning nanobody-antigen recognition
To Be Published
4YL5
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BU of 4yl5 by Molmil
Structure of a putative phosphomethylpyrimidine kinase from Acinetobacter baumannii
Descriptor: 1,2-ETHANEDIOL, Putative phosphomethylpyrimidine kinase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-03-04
Release date:2015-04-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Characterization of an Acinetobacter baumannii Monofunctional Phosphomethylpyrimidine Kinase That Is Inhibited by Pyridoxal Phosphate.
Biochemistry, 2024
6RVC
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BU of 6rvc by Molmil
Crystal structure of Patched-1 ectodomain 2 (PTCH1-ECD2) in complex with nanobody 75
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody NB75, Protein patched homolog 1, ...
Authors:Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C.
Deposit date:2019-05-31
Release date:2019-10-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019

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PDB entries from 2025-11-05

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