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5YGC
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BU of 5ygc by Molmil
Crystal structure of Drosophila melanogaster Papi extended Tudor domain
Descriptor: GH18329p
Authors:Zhang, Y.H, Huang, Y.
Deposit date:2017-09-22
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the sequence-specific recognition of Piwi byDrosophilaPapi
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5Z2I
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BU of 5z2i by Molmil
Structure of Dictyostelium discoideum mitochondrial calcium uniporter N-ternimal domain (Se-DdMCU-NTD)
Descriptor: Dictyostelium discoideum mitochondrial calcium uniporter
Authors:Yuan, Y, Wen, M, Chou, J, Li, D, Bo, O.
Deposit date:2018-01-02
Release date:2019-01-02
Last modified:2020-07-15
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:Structural Characterization of the N-Terminal Domain of theDictyostelium discoideumMitochondrial Calcium Uniporter.
Acs Omega, 5, 2020
5BX2
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BU of 5bx2 by Molmil
Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with 2-deoxy-2-fluoroglucoside
Descriptor: 1,2-ETHANEDIOL, 2-deoxy-2-fluoro-alpha-D-glucopyranose, CALCIUM ION, ...
Authors:Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R.
Deposit date:2015-06-08
Release date:2016-05-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2)
Acs Chem.Biol., 11, 2016
5UE8
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BU of 5ue8 by Molmil
The crystal structure of Munc13-1 C1C2BMUN domain
Descriptor: CHLORIDE ION, Protein unc-13 homolog A, ZINC ION
Authors:Tomchick, D.R, Rizo, J, Xu, J.
Deposit date:2016-12-29
Release date:2017-02-15
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Mechanistic insights into neurotransmitter release and presynaptic plasticity from the crystal structure of Munc13-1 C1C2BMUN.
Elife, 6, 2017
4DNC
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BU of 4dnc by Molmil
Crystal structure of human MOF in complex with MSL1
Descriptor: Histone acetyltransferase KAT8, Male-specific lethal 1 homolog, ZINC ION
Authors:Huang, J, Lei, M.
Deposit date:2012-02-08
Release date:2012-07-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insight into the regulation of MOF in the male-specific lethal complex and the non-specific lethal complex.
Cell Res., 22, 2012
7VAH
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BU of 7vah by Molmil
The crystal structure of COVID-19 main protease in H41A mutation
Descriptor: 3C-like proteinase
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-08-29
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.491 Å)
Cite:Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
4GQJ
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BU of 4gqj by Molmil
Complex of a binuclear Ruthenium compound D,D-([mu-(11,11')-bi(dppz)-(1,10-phenanthroline)4-Ru2]4+) bound to d(CGTACG)
Descriptor: (mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~4'~,N~5'~)[tetrakis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]diruthenium, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3')
Authors:Boer, D.R, Coll, M.
Deposit date:2012-08-23
Release date:2014-03-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.951 Å)
Cite:Thread Insertion of a Bis(dipyridophenazine) Diruthenium Complex into the DNA Double Helix by the Extrusion of AT Base Pairs and Cross-Linking of DNA Duplexes.
Angew.Chem.Int.Ed.Engl., 53, 2014
6BH3
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BU of 6bh3 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (S)-N-(1-(3-isopropyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl)cyclopropanecarboxamide (Compound N55)
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGW
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BU of 6bgw by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(4,4-difluoropiperidin-1-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N41)
Descriptor: 2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.644 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH4
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BU of 6bh4 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 5-(1-(tert-butyl)-1H-pyrazol-4-yl)-6-isopropyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (Compound N75/CPI-48)
Descriptor: 1,2-ETHANEDIOL, 5-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
7V97
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BU of 7v97 by Molmil
Arsenic-bound p53 DNA-binding domain mutant V272M
Descriptor: ARSENIC, Cellular tumor antigen p53, ZINC ION
Authors:Lu, M, Xing, Y.F, Wang, Z.Y, Ni, Y, Song, H.X.
Deposit date:2021-08-24
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Diverse rescue potencies of p53 mutations to ATO are predetermined by intrinsic mutational properties.
Sci Transl Med, 15, 2023
5UKG
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BU of 5ukg by Molmil
Crystal Structure of the genetically encoded calcium indicator K-GECO
Descriptor: CALCIUM ION, K-GECO
Authors:Schreiter, E.R.
Deposit date:2017-01-22
Release date:2018-02-07
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:A genetically encoded Ca2+indicator based on circularly permutated sea anemone red fluorescent protein eqFP578.
BMC Biol., 16, 2018
6K62
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BU of 6k62 by Molmil
Crystal structure of Xanthomonas PcrK
Descriptor: Histidine kinase
Authors:Ming, Z.H, Tang, J.L, Wu, L.J, Chen, P.
Deposit date:2019-05-31
Release date:2019-09-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The crystal structure of the phytopathogenic bacterial sensor PcrK reveals different cytokinin recognition mechanism from the plant sensor AHK4.
J.Struct.Biol., 208, 2019
2K2W
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BU of 2k2w by Molmil
Second BRCT domain of NBS1
Descriptor: Recombination and DNA repair protein
Authors:Xu, C, Cui, G, Botuyan, M, Mer, G.
Deposit date:2008-04-14
Release date:2008-06-17
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of a second BRCT domain identified in the nijmegen breakage syndrome protein Nbs1 and its function in an MDC1-dependent localization of Nbs1 to DNA damage sites.
J.Mol.Biol., 381, 2008
7CYV
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BU of 7cyv by Molmil
Crystal structure of FD20, a neutralizing single-chain variable fragment (scFv) in complex with SARS-CoV-2 Spike receptor-binding domain (RBD)
Descriptor: Spike protein S1, The heavy chain variable region of the scFv FD20,The light chain variable region of the scFv FD20, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Li, Y, Li, T, Lai, Y, Cai, H, Yao, H, Li, D.
Deposit date:2020-09-04
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Uncovering a conserved vulnerability site in SARS-CoV-2 by a human antibody.
Embo Mol Med, 13, 2021
3OJG
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BU of 3ojg by Molmil
Structure of an inactive lactonase from Geobacillus kaustophilus with bound N-butyryl-DL-homoserine lactone
Descriptor: FE (III) ION, N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, Phosphotriesterase, ...
Authors:Xue, B, Chow, J.Y, Tung, A, Robinson, R.C.
Deposit date:2010-08-22
Release date:2010-10-27
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Directed evolution of a thermostable quorum-quenching lactonase from the amidohydrolase superfamily
J.Biol.Chem., 285, 2010
7C8J
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BU of 7c8j by Molmil
Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2
Descriptor: Angiotensin-converting enzyme, SARS-CoV-2 Receptor binding domain, ZINC ION
Authors:Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F.
Deposit date:2020-06-01
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Cross-species recognition of SARS-CoV-2 to bat ACE2.
Proc.Natl.Acad.Sci.USA, 118, 2021
7C8K
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BU of 7c8k by Molmil
Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F.
Deposit date:2020-06-02
Release date:2021-01-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cross-species recognition of SARS-CoV-2 to bat ACE2.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CZF
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BU of 7czf by Molmil
Crystal structure of Kaposi Sarcoma associated herpesvirus (KSHV ) gHgL in complex with the ligand binding domian (LBD) of EphA2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Su, C, Wu, L.L, Song, H, Chai, Y, Qi, J.X, Yan, J.H, Gao, G.F.
Deposit date:2020-09-08
Release date:2020-10-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Molecular basis of EphA2 recognition by gHgL from gammaherpesviruses.
Nat Commun, 11, 2020
7DH7
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BU of 7dh7 by Molmil
Crystal structure of apo XcZur
Descriptor: PHOSPHATE ION, Transcriptional regulator fur family, ZINC ION
Authors:Liu, F.M, Su, Z.H, Chen, P, Tian, X.L, Wu, L.J, Tang, D.J, Li, P.F, Deng, H.T, Tang, J.L, Ming, Z.H.
Deposit date:2020-11-13
Release date:2021-06-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for zinc-induced activation of a zinc uptake transcriptional regulator.
Nucleic Acids Res., 49, 2021
7DH8
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BU of 7dh8 by Molmil
Crystal structure of holo XcZur
Descriptor: Transcriptional regulator fur family, ZINC ION
Authors:Liu, F.M, Su, Z.H, Chen, P, Tian, X.L, Wu, L.J, Tang, D.J, Li, P.F, Deng, H.T, Tang, J.L, Ming, Z.H.
Deposit date:2020-11-13
Release date:2021-06-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for zinc-induced activation of a zinc uptake transcriptional regulator.
Nucleic Acids Res., 49, 2021
7CZE
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BU of 7cze by Molmil
Crystal structure of Epstein-Barr virus (EBV) gHgL and in complex with the ligand binding domian (LBD) of EphA2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, Envelope glycoprotein L, ...
Authors:Su, C, Wu, L.L, Song, H, Chai, Y, Qi, J.X, Yan, J.H, Gao, G.F.
Deposit date:2020-09-08
Release date:2020-10-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular basis of EphA2 recognition by gHgL from gammaherpesviruses.
Nat Commun, 11, 2020
4PQ6
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BU of 4pq6 by Molmil
A sperm whale myoglobin single mutant L29E Mb with native His93 coordination
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ying-Wu, L, Xiang-shi, T, Wei, L.
Deposit date:2014-02-28
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Regulating the coordination state of a heme protein by a designed distal hydrogen-bonding network.
ChemistryOpen, 4, 2015
4PQB
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BU of 4pqb by Molmil
A sperm whale myoglobin double mutant L29E/F43H Mb with a non-native bis-His (His64/His93) coordination
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ying-wu, L, Xiang-shi, T, Wei, L.
Deposit date:2014-03-01
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.942 Å)
Cite:Regulating the coordination state of a heme protein by a designed distal hydrogen-bonding network.
ChemistryOpen, 4, 2015
4PQC
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BU of 4pqc by Molmil
A sperm whale myoglobin single mutant F43H Mb with native His93 coordination
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ying-wu, L, Xiang-shi, T, Wei, L.
Deposit date:2014-03-02
Release date:2015-01-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Regulating the coordination state of a heme protein by a designed distal hydrogen-bonding network.
ChemistryOpen, 4, 2015

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