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7XC3
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BU of 7xc3 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain 3 (SARS-unique domain-M)
Descriptor: Papain-like protease nsp3
Authors:Li, J, Gao, J.
Deposit date:2022-03-22
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Two Binding Sites of SARS-CoV-2 Macrodomain 3 Probed by Oxaprozin and Meclomen.
J.Med.Chem., 65, 2022
5Z3N
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BU of 5z3n by Molmil
Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base 5fC pair with dA
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*CP*GP*GP*CP*GP*CP*CP*GP*(5FC)P*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ...
Authors:Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q.
Deposit date:2018-01-08
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry.
Angew. Chem. Int. Ed. Engl., 58, 2019
6JOX
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BU of 6jox by Molmil
triosephosphate isomerase-scylla paramamosain
Descriptor: Triosephosphate isomerase
Authors:Xia, F, Jin, T.
Deposit date:2019-03-25
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Crystal Structure Analysis and Conformational Epitope Mutation of Triosephosphate Isomerase, a Mud Crab Allergen.
J.Agric.Food Chem., 67, 2019
7CJM
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BU of 7cjm by Molmil
SARS CoV-2 PLpro in complex with GRL0617
Descriptor: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION
Authors:Fu, Z, Huang, H.
Deposit date:2020-07-11
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The complex structure of GRL0617 and SARS-CoV-2 PLpro reveals a hot spot for antiviral drug discovery.
Nat Commun, 12, 2021
7EPX
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BU of 7epx by Molmil
S protein of SARS-CoV-2 in complex with GW01
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:Shen, Y.P, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q.
Deposit date:2021-04-28
Release date:2022-05-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Novel sarbecovirus bispecific neutralizing antibodies with exceptional breadth and potency against currently circulating SARS-CoV-2 variants and sarbecoviruses.
Cell Discov, 8, 2022
3APR
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BU of 3apr by Molmil
BINDING OF A REDUCED PEPTIDE INHIBITOR TO THE ASPARTIC PROTEINASE FROM RHIZOPUS CHINENSIS. IMPLICATIONS FOR A MECHANISM OF ACTION
Descriptor: REDUCED PEPTIDE INHIBITOR, RHIZOPUSPEPSIN
Authors:Suguna, K, Davies, D.R.
Deposit date:1987-06-22
Release date:1988-01-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of a reduced peptide inhibitor to the aspartic proteinase from Rhizopus chinensis: implications for a mechanism of action.
Proc.Natl.Acad.Sci.USA, 84, 1987
2APR
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BU of 2apr by Molmil
STRUCTURE AND REFINEMENT AT 1.8 ANGSTROMS RESOLUTION OF THE ASPARTIC PROTEINASE FROM RHIZOPUS CHINENSIS
Descriptor: CALCIUM ION, RHIZOPUSPEPSIN
Authors:Suguna, K, Davies, D.R.
Deposit date:1987-03-19
Release date:1987-07-16
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and refinement at 1.8 A resolution of the aspartic proteinase from Rhizopus chinensis.
J.Mol.Biol., 196, 1987
6JW4
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BU of 6jw4 by Molmil
Degenerate RVD RG forms a distinct loop conformation
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5HC)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector
Authors:Liu, L, Yi, C.
Deposit date:2019-04-18
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
6JW5
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BU of 6jw5 by Molmil
RVD Q* recognizes 5hmC through water-mediated H bonds
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5HC)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector
Authors:Liu, L, Yi, C.
Deposit date:2019-04-18
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
6JW3
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BU of 6jw3 by Molmil
Degenerate RVD RG forms a distinct loop conformation
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5CM)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector
Authors:Liu, L, Yi, C.
Deposit date:2019-04-18
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
6JW0
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BU of 6jw0 by Molmil
Universal RVD R* accommodates cytosine via water-mediated interactions
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*CP*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector
Authors:Liu, L, Yi, C.
Deposit date:2019-04-18
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
6JW1
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BU of 6jw1 by Molmil
Universal RVD R* accommodates 5mC via water-mediated interactions
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5CM)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector
Authors:Liu, L, Yi, C.
Deposit date:2019-04-18
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
6JW2
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BU of 6jw2 by Molmil
Universal RVD R* accommodates 5hmC via water-mediated interactions
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5HC)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector
Authors:Liu, L, Yi, C.
Deposit date:2019-04-18
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
6JVZ
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BU of 6jvz by Molmil
RVD HA specifically contacts 5mC through van der Waals interactions
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5CM)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector
Authors:Liu, L, Yi, C.
Deposit date:2019-04-18
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
2LHR
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BU of 2lhr by Molmil
Solution structure of Staphylococcus aureus IsdH linker domain
Descriptor: Iron-regulated surface determinant protein H
Authors:Spirig, T, Clubb, R.T, Malmirchegini, G.R, Robson, S.A.
Deposit date:2011-08-12
Release date:2012-11-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Staphylococcus aureus Uses a Novel Multidomain Receptor to Break Apart Human Hemoglobin and Steal Its Heme.
J.Biol.Chem., 288, 2013
2MOQ
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BU of 2moq by Molmil
Solution Structure and Molecular determinants of Hemoglobin Binding of the first NEAT Domain of IsdB in Staphylococcus aureus
Descriptor: Iron-regulated surface determinant protein B
Authors:Fonner, B.A, Tripet, B.P, Eilers, B.J, Stanisich, J, Sullivan-Springhetti, R.K, Moore, R, Lui, M, Lei, B, Copie, V.
Deposit date:2014-04-29
Release date:2014-07-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure and Molecular Determinants of Hemoglobin Binding of the First NEAT Domain of IsdB in Staphylococcus aureus.
Biochemistry, 53, 2014
8JWZ
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BU of 8jwz by Molmil
Crystal structure of A2AR-T4L in complex with AB928
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ...
Authors:Weng, Y, Chen, Y, Xu, Y, Song, G.
Deposit date:2023-06-29
Release date:2023-08-16
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
8JWY
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BU of 8jwy by Molmil
Crystal structure of A2AR-T4L in complex with 2-118
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ...
Authors:Weng, Y, Chen, Y, Xu, Y, Song, G.
Deposit date:2023-06-29
Release date:2023-08-16
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
6JQ4
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BU of 6jq4 by Molmil
HIGA Escherichia coli-K12
Descriptor: Antitoxin HigA
Authors:She, Z, Xu, B.S.
Deposit date:2019-03-28
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational changes of antitoxin HigA from Escherichia coli str. K-12 upon binding of its cognate toxin HigB reveal a new regulation mechanism in toxin-antitoxin systems.
Biochem.Biophys.Res.Commun., 514, 2019
7CGW
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BU of 7cgw by Molmil
Complex structure of PD-1 and tislelizumab Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ...
Authors:Hong, Y, Feng, Y.C, Liu, Y.
Deposit date:2020-07-02
Release date:2021-04-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage.
Febs Open Bio, 11, 2021
8KGY
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BU of 8kgy by Molmil
Human glutamate dehydrogenase I
Descriptor: Glutamate dehydrogenase 1, mitochondrial
Authors:Su, M.-Y.
Deposit date:2023-08-20
Release date:2023-10-25
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Cryo-EM structure of the KLHL22 E3 ligase bound to an oligomeric metabolic enzyme.
Structure, 31, 2023
8KHP
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BU of 8khp by Molmil
CULLIN3-KLHL22-RBX1 E3 ligase
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch-like protein 22
Authors:Su, M.-Y, Su, M.-Y.
Deposit date:2023-08-22
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Cryo-EM structure of the KLHL22 E3 ligase bound to an oligomeric metabolic enzyme.
Structure, 31, 2023
6KNY
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BU of 6kny by Molmil
Structure of Amuc_1100 without transmembrane region from Akkermansia muciniphila
Descriptor: Protein Amuc_1100
Authors:Mou, L.Q, Xiao, Q.J, Deng, D.
Deposit date:2019-08-07
Release date:2020-04-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of monomeric Amuc_1100 from Akkermansia muciniphila.
Acta Crystallogr.,Sect.F, 76, 2020
2Q7A
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BU of 2q7a by Molmil
Crystal structure of the cell surface heme transfer protein Shp
Descriptor: Cell surface heme-binding protein, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Aranda IV, R, Worley, C.E, Bitto, E, Phillips Jr, G.N.
Deposit date:2007-06-06
Release date:2007-09-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bis-methionyl coordination in the crystal structure of the heme-binding domain of the streptococcal cell surface protein Shp.
J.Mol.Biol., 374, 2007
3ER5
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BU of 3er5 by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
Descriptor: ENDOTHIAPEPSIN, H-189
Authors:Bailey, D, Veerapandian, B, Cooper, J, Szelke, M, Blundell, T.L.
Deposit date:1991-01-05
Release date:1991-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray-crystallographic studies of complexes of pepstatin A and a statine-containing human renin inhibitor with endothiapepsin.
Biochem.J., 289 ( Pt 2), 1993

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