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2HWE
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BU of 2hwe by Molmil
A COMPARISON OF THE ANTI-RHINOVIRAL DRUG BINDING POCKET IN HRV14 AND HRV1A
Descriptor: 5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE, HUMAN RHINOVIRUS 1A COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 1A COAT PROTEIN (SUBUNIT VP2), ...
Authors:Kim, K.H, Rossmann, M.G.
Deposit date:1994-01-25
Release date:1994-09-30
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:A comparison of the anti-rhinoviral drug binding pocket in HRV14 and HRV1A.
J.Mol.Biol., 230, 1993
7DFP
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BU of 7dfp by Molmil
Human dopamine D2 receptor in complex with spiperone
Descriptor: 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, D(2) dopamine receptor,Soluble cytochrome b562, FabH, ...
Authors:Im, D, Shimamura, T, Iwata, S.
Deposit date:2020-11-09
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the dopamine D 2 receptor in complex with the antipsychotic drug spiperone.
Nat Commun, 11, 2020
2HWD
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BU of 2hwd by Molmil
A COMPARISON OF THE ANTI-RHINOVIRAL DRUG BINDING POCKET IN HRV14 AND HRV1A
Descriptor: 5-(3-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PROPYL)-3-METHYL ISOXAZOLE, HUMAN RHINOVIRUS 1A COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 1A COAT PROTEIN (SUBUNIT VP2), ...
Authors:Kim, K.H, Rossmann, M.G.
Deposit date:1994-01-25
Release date:1994-09-30
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:A comparison of the anti-rhinoviral drug binding pocket in HRV14 and HRV1A.
J.Mol.Biol., 230, 1993
7CWM
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BU of 7cwm by Molmil
Complex of SARS-CoV-2 spike protein and Fab P17 with one RBD in open state and two RBD in closed state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P17 heavy chain, ...
Authors:Wang, N, Wang, X.
Deposit date:2020-08-29
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
2HHD
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BU of 2hhd by Molmil
OXYGEN AFFINITY MODULATION BY THE N-TERMINI OF THE BETA-CHAINS IN HUMAN AND BOVINE HEMOGLOBIN
Descriptor: HEMOGLOBIN (DEOXY) (ALPHA CHAIN), HEMOGLOBIN (DEOXY) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Gilliland, G.L, Pechik, I, Fronticelli, C, Ji, X.
Deposit date:1994-09-29
Release date:1995-01-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic, molecular modeling, and biophysical characterization of the valine beta 67 (E11)-->threonine variant of hemoglobin.
Biochemistry, 35, 1996
7C4A
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BU of 7c4a by Molmil
nicA2 with cofactor FAD
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Xu, P, Zang, K.
Deposit date:2020-05-15
Release date:2020-06-03
Last modified:2020-12-16
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular Deceleration Regulates Toxicant Release to Prevent Cell Damage in Pseudomonas putida S16 (DSM 28022).
Mbio, 11, 2020
2HHE
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BU of 2hhe by Molmil
OXYGEN AFFINITY MODULATION BY THE N-TERMINI OF THE BETA CHAINS IN HUMAN AND BOVINE HEMOGLOBIN
Descriptor: HEMOGLOBIN (DEOXY) (ALPHA CHAIN), HEMOGLOBIN (DEOXY) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Gilliland, G.L, Pechik, I, Fronticelli, C, Ji, X.
Deposit date:1994-09-29
Release date:1995-01-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Chloride ion independence of the Bohr effect in a mutant human hemoglobin beta (V1M+H2deleted).
J.Biol.Chem., 269, 1994
8RPZ
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BU of 8rpz by Molmil
Escherichia coli 50S subunit in complex with the antimicrobial peptide Api88 - conformation I
Descriptor: 23S ribosomal RNA, 5S ribosomal RNA, Apidaecins type 88, ...
Authors:Lauer, S, Nikolay, R, Spahn, C.
Deposit date:2024-01-17
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (2.44 Å)
Cite:Multimodal binding and inhibition of bacterial ribosomes by the antimicrobial peptides Api137 and Api88.
Nat Commun, 15, 2024
8RQ2
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BU of 8rq2 by Molmil
Escherichia coli 50S subunit in complex with the antimicrobial peptide Api88 - conformation III
Descriptor: 23S ribosomal RNA, 5S ribosomal RNA, Apidaecins type 88, ...
Authors:Lauer, S, Nikolay, R, Spahn, C.
Deposit date:2024-01-17
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (2.44 Å)
Cite:Multimodal binding and inhibition of bacterial ribosomes by the antimicrobial peptides Api137 and Api88.
Nat Commun, 15, 2024
2H35
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BU of 2h35 by Molmil
Solution structure of Human normal adult hemoglobin
Descriptor: Hemoglobin alpha subunit, Hemoglobin beta subunit, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fan, J.S, Yang, D.
Deposit date:2006-05-22
Release date:2006-11-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:A new strategy for structure determination of large proteins in solution without deuteration
Nat.Methods, 3, 2006
7CRZ
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BU of 7crz by Molmil
Crystal structure of human glucose transporter GLUT3 bound with C3361
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol, Solute carrier family 2, ...
Authors:Yuan, Y.Y, Zhang, S, Wang, N, Jiang, X, Yan, N.
Deposit date:2020-08-14
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Orthosteric-allosteric dual inhibitors of PfHT1 as selective antimalarial agents.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CWU
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BU of 7cwu by Molmil
SARS-CoV-2 spike proteins trimer in complex with P17 and FC05 Fabs cocktail
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Wang, X, Wang, N.
Deposit date:2020-08-31
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure-based development of human antibody cocktails against SARS-CoV-2.
Cell Res., 31, 2021
7CW2
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BU of 7cw2 by Molmil
Cryo-EM structure of Chikungunya virus in complex with Fab fragments of mAb CHK-263 (subregion around icosahedral 5-fold vertex)
Descriptor: Capsid protein, E1 glycoprotein, E2 glycoprotein, ...
Authors:Zhou, Q.F, Fox, J.M, Earnest, J.T, Ng, T.S, Kim, A.S, Fibriansah, G, Kostyuchenko, V.A, Shu, B, Diamond, M.S, Lok, S.M.
Deposit date:2020-08-27
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural basis of Chikungunya virus inhibition by monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 117, 2020
7C49
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BU of 7c49 by Molmil
nicA2 with cofactor FAD and substrate nicotine
Descriptor: 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Xu, P, Zhang, K.
Deposit date:2020-05-15
Release date:2020-06-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Molecular Deceleration Regulates Toxicant Release to Prevent Cell Damage in Pseudomonas putida S16 (DSM 28022).
Mbio, 11, 2020
2HBE
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BU of 2hbe by Molmil
HIGH RESOLUTION X-RAY STRUCTURES OF MYOGLOBIN-AND HEMOGLOBIN-ALKYL ISOCYANIDE COMPLEXES
Descriptor: HEMOGLOBIN A (N-BUTYL ISOCYANIDE) (ALPHA CHAIN), HEMOGLOBIN A (N-BUTYL ISOCYANIDE) (BETA CHAIN), N-BUTYL ISOCYANIDE, ...
Authors:Johnson, K.A, Olson, J.S, Phillips Jr, G.N.
Deposit date:1994-08-31
Release date:1995-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:High Resolution X-Ray Structures of Myoglobin-and Hemoglobin-Alkyl Isocyanide Complexes
Thesis, 1, 1993
7C7H
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BU of 7c7h by Molmil
Crystal structures of AKR1C3 ternary complex with NADP+ and the chromene derivative 2l
Descriptor: 2-azanylidene-N-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Irie, K, Toyooka, N, Endo, S.
Deposit date:2020-05-25
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.
J.Med.Chem., 63, 2020
7CVZ
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BU of 7cvz by Molmil
Cryo-EM structure of Chikungunya virus in complex with Fab fragments of mAb CHK-263
Descriptor: Capsid protein, E1 glycoprotein, E2 glycoprotein, ...
Authors:Zhou, Q.F, Fox, J.M, Earnest, J.T, Ng, T.S, Kim, A.S, Fibriansah, G, Kostyuchenko, V.A, Shu, B, Diamond, M.S, Lok, S.M.
Deposit date:2020-08-27
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structural basis of Chikungunya virus inhibition by monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 117, 2020
8S1P
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BU of 8s1p by Molmil
YlmH bound to PtRNA-50S
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Paternoga, H, Dimitrova-Paternoga, L, Wilson, D.N.
Deposit date:2024-02-15
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (1.96 Å)
Cite:A role for the S4-domain containing protein YlmH in ribosome-associated quality control in Bacillus subtilis.
Nucleic Acids Res., 2024
8R74
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BU of 8r74 by Molmil
Galectin-1 in complex with thiogalactoside derivative
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-(2-oxidanyl-1,3-thiazol-4-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-1
Authors:Hakansson, M, Diehl, C, Peterson, K, Zetterberg, F, Nilsson, U.
Deposit date:2023-11-23
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Discovery of the Selective and Orally Available Galectin-1 Inhibitor GB1908 as a Potential Treatment for Lung Cancer.
J.Med.Chem., 67, 2024
7CVY
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BU of 7cvy by Molmil
Cryo-EM structure of Chikungunya virus in complex with Fab fragments of mAb CHK-124
Descriptor: Capsid protein, E1 glycoprotein, E2 glycoprotein, ...
Authors:Zhou, Q.F, Fox, J.M, Earnest, J.T, Ng, T.S, Kim, A.S, Fibriansah, G, Kostyuchenko, V.A, Shu, B, Diamond, M.S, Lok, S.M.
Deposit date:2020-08-27
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:Structural basis of Chikungunya virus inhibition by monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 117, 2020
8S1U
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BU of 8s1u by Molmil
YlmH bound to stalled 50S subunits with RqcH and PtRNA
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Paternoga, H, Wilson, D.N.
Deposit date:2024-02-16
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A role for the S4-domain containing protein YlmH in ribosome-associated quality control in Bacillus subtilis.
Nucleic Acids Res., 2024
7CBY
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BU of 7cby by Molmil
Structure of FOXG1 DNA binding domain bound to DBE2 DNA site
Descriptor: DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*AP*AP*AP*AP*TP*GP*TP*AP*AP*AP*CP*AP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*TP*GP*TP*TP*TP*AP*CP*AP*TP*TP*TP*TP*G)-3'), ...
Authors:Dai, S.Y, Li, J, Chen, Y.H.
Deposit date:2020-06-15
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.646 Å)
Cite:Structural Basis for DNA Recognition by FOXG1 and the Characterization of Disease-causing FOXG1 Mutations.
J.Mol.Biol., 432, 2020
7CCC
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BU of 7ccc by Molmil
The structure of the actin filament uncapping complex mediated by twinfilin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Robinson, R.C, Mwangangi, D.M.
Deposit date:2020-06-16
Release date:2021-02-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The structure of the actin filament uncapping complex mediated by twinfilin.
Sci Adv, 7, 2021
2H6H
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BU of 2h6h by Molmil
Y365F Protein Farnesyltransferase Mutant Complexed with a Farnesylated DDPTASACVLS Peptide Product at 1.8A
Descriptor: ACETIC ACID, FARNESYL, Protein farnesyltransferase beta subunit, ...
Authors:Terry, K.L, Beese, L.S.
Deposit date:2006-05-31
Release date:2006-08-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conversion of protein farnesyltransferase to a geranylgeranyltransferase.
Biochemistry, 45, 2006
7CM3
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BU of 7cm3 by Molmil
Cryo-EM structure of human NALCN in complex with FAM155A
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, J, Yan, Z, Ke, M.
Deposit date:2020-07-24
Release date:2020-11-11
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the human sodium leak channel NALCN in complex with FAM155A.
Nat Commun, 11, 2020

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