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7ETV
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BU of 7etv by Molmil
The FK1 domain of FKBP51 in complex with peptide-inhibitor hit DFPFV
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit
Authors:Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J.
Deposit date:2021-05-14
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography.
Comput Struct Biotechnol J, 19, 2021
7ETS
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BU of 7ets by Molmil
Crystal structure of crp protein from Gardnerella Vaginalis
Descriptor: Crp/Fnr family transcriptional regulator, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Dong, H.J, Wang, S, Zhang, J.M, Gu, L.
Deposit date:2021-05-13
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal structure of crp protein from Gardnerella Vaginalis
To Be Published
6DF4
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BU of 6df4 by Molmil
TAF1-BD2 in complex with Cpd8 (6-(but-3-en-1-yl)-4-(3-(morpholine-4-carbonyl)phenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)
Descriptor: 6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Transcription initiation factor TFIID subunit
Authors:Murray, J.M, Tang, Y.
Deposit date:2018-05-14
Release date:2018-10-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:GNE-371, a Potent and Selective Chemical Probe for the Second Bromodomains of Human Transcription-Initiation-Factor TFIID Subunit 1 and Transcription-Initiation-Factor TFIID Subunit 1-like.
J. Med. Chem., 61, 2018
6DF7
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BU of 6df7 by Molmil
TAF1-BD2 in complex with Cpd27 (6-(but-3-en-1-yl)-4-(1-methyl-6-(morpholine-4-carbonyl)-1H-benzo[d]imidazol-4-yl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)
Descriptor: 6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1H-benzimidazol-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Transcription initiation factor TFIID subunit
Authors:Murray, J.M.
Deposit date:2018-05-14
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:GNE-371, a Potent and Selective Chemical Probe for the Second Bromodomains of Human Transcription-Initiation-Factor TFIID Subunit 1 and Transcription-Initiation-Factor TFIID Subunit 1-like.
J. Med. Chem., 61, 2018
7DK0
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BU of 7dk0 by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW05 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MW05 heavy chain, MW05 light chain, ...
Authors:Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
Deposit date:2020-11-22
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.199 Å)
Cite:Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
7DJZ
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BU of 7djz by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW01 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, MW01 heavy chain, ...
Authors:Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
Deposit date:2020-11-22
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
7KZP
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BU of 7kzp by Molmil
Structure of the human Fanconi anaemia Core complex
Descriptor: E3 ubiquitin-protein ligase FANCL, Fanconi anemia core complex-associated protein 100, Fanconi anemia core complex-associated protein 20, ...
Authors:Wang, S.L, Pavletich, N.P.
Deposit date:2020-12-10
Release date:2021-03-10
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the FA core ubiquitin ligase closing the ID clamp on DNA.
Nat.Struct.Mol.Biol., 28, 2021
7KZV
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BU of 7kzv by Molmil
Structure of the human fanconi anaemia Core-UBE2T-ID-DNA complex in closed state
Descriptor: DNA (29-MER), E3 ubiquitin-protein ligase FANCL, Fanconi anemia core complex-associated protein 100, ...
Authors:Wang, S.L, Pavletich, N.P.
Deposit date:2020-12-10
Release date:2021-03-10
Last modified:2021-03-24
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure of the FA core ubiquitin ligase closing the ID clamp on DNA.
Nat.Struct.Mol.Biol., 28, 2021
7KZT
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BU of 7kzt by Molmil
Structure of the human fanconi anaemia Core-UBE2T-ID-DNA complex in intermediate state
Descriptor: DNA (22-MER), E3 ubiquitin-protein ligase FANCL, Fanconi anemia core complex-associated protein 100, ...
Authors:Wang, S.L, Pavletich, N.P.
Deposit date:2020-12-10
Release date:2021-03-10
Last modified:2021-03-24
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure of the FA core ubiquitin ligase closing the ID clamp on DNA.
Nat.Struct.Mol.Biol., 28, 2021
7KZQ
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BU of 7kzq by Molmil
Structure of the human Fanconi anaemia Core-ID complex
Descriptor: E3 ubiquitin-protein ligase FANCL, Fanconi anemia core complex-associated protein 100, Fanconi anemia core complex-associated protein 20, ...
Authors:Wang, S.L, Pavletich, N.P.
Deposit date:2020-12-10
Release date:2021-03-10
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structure of the FA core ubiquitin ligase closing the ID clamp on DNA.
Nat.Struct.Mol.Biol., 28, 2021
7KZR
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BU of 7kzr by Molmil
Structure of the human Fanconi Anaemia Core-UBE2T-ID complex
Descriptor: E3 ubiquitin-protein ligase FANCL, Fanconi anemia core complex-associated protein 100, Fanconi anemia core complex-associated protein 20, ...
Authors:Wang, S.L, Pavletich, N.P.
Deposit date:2020-12-10
Release date:2021-03-10
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structure of the FA core ubiquitin ligase closing the ID clamp on DNA.
Nat.Struct.Mol.Biol., 28, 2021
7KZS
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BU of 7kzs by Molmil
Structure of the human fanconi anaemia Core-UBE2T-ID-DNA complex in open state
Descriptor: DNA (25-MER), E3 ubiquitin-protein ligase FANCL, Fanconi anemia core complex-associated protein 100, ...
Authors:Wang, S.L, Pavletich, N.P.
Deposit date:2020-12-10
Release date:2021-03-10
Last modified:2021-03-24
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure of the FA core ubiquitin ligase closing the ID clamp on DNA.
Nat.Struct.Mol.Biol., 28, 2021
8GN4
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BU of 8gn4 by Molmil
The crystal structure of ZBTB10 ZF1-2 R767Q in complex with telomeric DNA TTAGGG
Descriptor: DNA (5'-D(*AP*TP*AP*TP*AP*AP*CP*CP*CP*TP*A)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*GP*TP*TP*AP*TP*A)-3'), ZINC ION, ...
Authors:Li, F.D, Wang, S.M.
Deposit date:2022-08-22
Release date:2023-08-30
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into the recognition of telomeric variant repeat TTGGGG by broad-complex, tramtrack and bric-a-brac - zinc finger protein ZBTB10.
J.Biol.Chem., 299, 2023
8GN3
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BU of 8gn3 by Molmil
The crystal structure of ZBTB10 ZF1-2 in complex with telomeric vairant repeat TTGGGG
Descriptor: DNA (5'-D(*AP*TP*AP*CP*AP*AP*CP*CP*CP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*GP*GP*GP*TP*TP*GP*TP*A)-3'), ZINC ION, ...
Authors:Li, F.D, Wang, S.M.
Deposit date:2022-08-22
Release date:2023-08-30
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the recognition of telomeric variant repeat TTGGGG by broad-complex, tramtrack and bric-a-brac - zinc finger protein ZBTB10.
J.Biol.Chem., 299, 2023
5TRF
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BU of 5trf by Molmil
MDM2 in complex with SAR405838
Descriptor: (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2016-10-26
Release date:2016-11-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression.
Cancer Res., 74, 2014
1K33
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BU of 1k33 by Molmil
Crystal structure analysis of the gp41 core mutant
Descriptor: Transmembrane glycoprotein GP41
Authors:Shu, W, Lu, M.
Deposit date:2001-10-01
Release date:2001-10-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Interhelical interactions in the gp41 core: implications for activation of HIV-1 membrane fusion.
Biochemistry, 41, 2002
1K34
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BU of 1k34 by Molmil
Crystal structure analysis of gp41 core mutant
Descriptor: Transmembrane glycoprotein GP41
Authors:Shu, W, Lu, M.
Deposit date:2001-10-01
Release date:2001-10-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Interhelical interactions in the gp41 core: implications for activation of HIV-1 membrane fusion.
Biochemistry, 41, 2002
4FFS
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BU of 4ffs by Molmil
Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Helicobacter pylori with butyl-thio-DADMe-Immucillin-A
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, CHLORIDE ION, MTA/SAH nucleosidase
Authors:Haapalainen, A.M, Rinaldo-Matthis, A, Brown, R.L, Norris, G.E, Almo, S.C, Schramm, V.L.
Deposit date:2012-06-01
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Picomolar Transition State Analogue Inhibitor of MTAN as a Specific Antibiotic for Helicobacter pylori.
Biochemistry, 51, 2012
6J18
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BU of 6j18 by Molmil
ATPase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ESX-5 secretion system protein EccC5, MAGNESIUM ION
Authors:Wang, S.H, Li, J, Rao, Z.H.
Deposit date:2018-12-28
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into substrate recognition by the type VII secretion system.
Protein Cell, 11, 2020
6J19
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BU of 6j19 by Molmil
ATPase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ESAT-6-like protein EsxB, ESX-1 secretion system protein EccCb1, ...
Authors:Wang, S.H, Li, J, Rao, Z.H.
Deposit date:2018-12-28
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:Structural insights into substrate recognition by the type VII secretion system.
Protein Cell, 11, 2020
6JD5
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BU of 6jd5 by Molmil
ATPase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ESX conserved component EccC2. ESX-2 type VII secretion system protein. Possible membrane protein, MAGNESIUM ION
Authors:Wang, S.H, Li, J, Rao, Z.H.
Deposit date:2019-01-31
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into substrate recognition by the type VII secretion system.
Protein Cell, 11, 2020
6J17
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BU of 6j17 by Molmil
ATPase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ESX-3 secretion system protein EccC3, MAGNESIUM ION
Authors:Wang, S.H, Li, J, Rao, Z.H.
Deposit date:2018-12-28
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.975 Å)
Cite:Structural insights into substrate recognition by the type VII secretion system.
Protein Cell, 11, 2020
6JD4
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BU of 6jd4 by Molmil
ATPase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ESX-1 secretion system protein EccCb1, MAGNESIUM ION
Authors:Wang, S.H, Li, J, Rao, Z.H.
Deposit date:2019-01-31
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into substrate recognition by the type VII secretion system.
Protein Cell, 11, 2020
7E56
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BU of 7e56 by Molmil
The mutant crystal structure of endo-polygalacturonase (T316C/G344C) from Talaromyces leycettanus JCM 12802
Descriptor: Endo-polygalacturonase
Authors:Tu, T, Luo, H, Yao, B.
Deposit date:2021-02-17
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Cysteine Engineering of an Endo-polygalacturonase from Talaromyces leycettanus JCM 12802 to Improve Its Thermostability.
J.Agric.Food Chem., 69, 2021
4P69
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BU of 4p69 by Molmil
Acek (D477A) ICDH complex
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Isocitrate dehydrogenase [NADP], ...
Authors:Jimin, Z, Nan, W, Shu, W, Zongchao, J.
Deposit date:2014-03-22
Release date:2014-10-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The phosphatase mechanism of bifunctional kinase/phosphatase AceK.
Chem. Commun. (Camb.), 50, 2014

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