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2G6U
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BU of 2g6u by Molmil
Solution structures of MP-2: a high affinity miniprotein ligand to Streptavidin
Descriptor: Miniprotein MP2
Authors:Fox, R.O, Mukherjee, M.
Deposit date:2006-02-25
Release date:2007-04-10
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Structural studies of high affinity miniprotein ligands to Streptavidin
To be Published
7K80
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BU of 7k80 by Molmil
KIR3DL1*001 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP, ...
Authors:MacLachlan, B.J, Rossjohn, J, Vivian, J.P.
Deposit date:2020-09-24
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Role of the HLA Class I alpha 2 Helix in Determining Ligand Hierarchy for the Killer Cell Ig-like Receptor 3DL1.
J Immunol., 206, 2021
2G2N
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BU of 2g2n by Molmil
Crystal Structure of E.coli transthyretin-related protein with bound Zn
Descriptor: SULFATE ION, Transthyretin-like protein, ZINC ION
Authors:Lundberg, E, Backstrom, S, Sauer, U.H, Sauer-Eriksson, A.E.
Deposit date:2006-02-16
Release date:2006-12-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The transthyretin-related protein: structural investigation of a novel protein family
J.Struct.Biol., 155, 2006
8PFE
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BU of 8pfe by Molmil
Crystal Structure of an Hexavariant of the b1 Domain of Human Neuropilin-1 in Complex with the KDKPPR Peptide
Descriptor: ACETATE ION, LYS-ASP-LYS-PRO-PRO-ARG, Neuropilin-1
Authors:Jelsch, C, Favier, F, Didierjean, C.
Deposit date:2023-06-15
Release date:2023-08-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:New Crystal Form of Human Neuropilin-1 b1 Fragment with Six Electrostatic Mutations Complexed with KDKPPR Peptide Ligand.
Molecules, 28, 2023
5OBC
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BU of 5obc by Molmil
X-ray structure of the adduct formed upon reaction of ribonuclease A with the compound fac-[RuII(CO)3Cl2(N3-IM), IM=imidazole
Descriptor: PHOSPHATE ION, Ribonuclease pancreatic, pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium, ...
Authors:Pontillo, N, Ferraro, G, Merlino, A.
Deposit date:2017-06-26
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography.
Dalton Trans, 46, 2017
5OBE
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BU of 5obe by Molmil
X-ray structure of the adduct formed upon reaction of ribonuclease A with the compound fac-[RuII(CO)3Cl2(N3-MBI), MBI=methyl-benzimidazole
Descriptor: PHOSPHATE ION, Ribonuclease pancreatic, pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium, ...
Authors:Pontillo, N, Ferraro, G, Merlino, A.
Deposit date:2017-06-26
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography.
Dalton Trans, 46, 2017
5OBD
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BU of 5obd by Molmil
X-ray structure of the adduct formed upon reaction of ribonuclease A with the compound fac-[RuII(CO)3Cl2(N3-MIM), MIM=methyl-imidazole
Descriptor: PHOSPHATE ION, Ribonuclease pancreatic, tris(oxidaniumylidynemethyl)-tris(oxidanyl)ruthenium
Authors:Pontillo, N, Ferraro, G, Merlino, A.
Deposit date:2017-06-26
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography.
Dalton Trans, 46, 2017
6HOD
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BU of 6hod by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44848
Descriptor: 4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6F28
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BU of 6f28 by Molmil
Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2'-Amino-2'-carboxyethyl]-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.4A
Descriptor: (2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, Glutamate receptor ionotropic, ...
Authors:Venskutonyte, R, Frydenvang, K, Kastrup, J.S.
Deposit date:2017-11-23
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:( S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements and Structural and Biological Investigation.
J. Med. Chem., 61, 2018
4Y5V
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BU of 4y5v by Molmil
Diabody 305 complex with EpoR
Descriptor: DI(HYDROXYETHYL)ETHER, Diabody 305 VL domain, Erythropoietin receptor, ...
Authors:Moraga, I, Guo, F, Ozkan, E, Jude, K.M, Garcia, K.C.
Deposit date:2015-02-12
Release date:2015-04-29
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Tuning Cytokine Receptor Signaling by Re-orienting Dimer Geometry with Surrogate Ligands.
Cell, 160, 2015
6HNX
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BU of 6hnx by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM35133
Descriptor: 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HO1
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BU of 6ho1 by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41974
Descriptor: GLYCEROL, HTH-type transcriptional regulator EthR, ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HO5
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BU of 6ho5 by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44719
Descriptor: 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HOB
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BU of 6hob by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44831
Descriptor: 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6TLP
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BU of 6tlp by Molmil
HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE
Descriptor: 5,6-DIBROMOBENZOTRIAZOLE, CITRATE ANION, Casein kinase II subunit alpha, ...
Authors:Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J.
Deposit date:2019-12-03
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
8I79
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BU of 8i79 by Molmil
Cryo-EM structure of KCTD7 in complex with Cullin3
Descriptor: BTB/POZ domain-containing protein KCTD7, Cullin-3
Authors:Jiang, W, Wang, W, Zheng, S.
Deposit date:2023-01-31
Release date:2023-07-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for the ubiquitination of G protein beta gamma subunits by KCTD5/Cullin3 E3 ligase.
Sci Adv, 9, 2023
6HOE
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BU of 6hoe by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44850
Descriptor: HTH-type transcriptional regulator EthR, ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
7ORW
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BU of 7orw by Molmil
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265
Descriptor: 1H-benzimidazol-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z.
Deposit date:2021-06-06
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
7ORU
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BU of 7oru by Molmil
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00221
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z.
Deposit date:2021-06-06
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
7ORV
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BU of 7orv by Molmil
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00239
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z.
Deposit date:2021-06-06
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
7ORR
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BU of 7orr by Molmil
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00022
Descriptor: 4-PHENYL-1H-IMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z.
Deposit date:2021-06-06
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
2O58
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BU of 2o58 by Molmil
Horse heart met manganese myoglobin
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING MN, SULFATE ION
Authors:Richter-Addo, G.B, Zahran, Z.N, Chooback, L, Copeland, D.M, West, A.H.
Deposit date:2006-12-05
Release date:2007-10-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structures of manganese- and cobalt-substituted myoglobin in complex with NO and nitrite reveal unusual ligand conformations.
J.Inorg.Biochem., 102, 2008
6HNZ
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BU of 6hnz by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41231
Descriptor: 4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HO2
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BU of 6ho2 by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM43138
Descriptor: HTH-type transcriptional regulator EthR, ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HO7
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BU of 6ho7 by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44814
Descriptor: HTH-type transcriptional regulator EthR, ~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018

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