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7PUE
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BU of 7pue by Molmil
Human serum and glucocorticoid-regulated kinase 1 in complex with pyrazolopyridine inhibitor 3a
Descriptor: 6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{N}-[(3~{R})-pyrrolidin-3-yl]-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide, GLYCEROL, Serine/threonine-protein kinase Sgk1
Authors:Dreyer, M.K, Halland, N, Nazare, M.
Deposit date:2021-09-29
Release date:2021-12-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.506 Å)
Cite:Rational Design of Highly Potent, Selective, and Bioavailable SGK1 Protein Kinase Inhibitors for the Treatment of Osteoarthritis.
J.Med.Chem., 65, 2022
6M24
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BU of 6m24 by Molmil
Uncommon structural features of rabbit MHC class I (RLA-A1) complexed with rabbit haemorrhagic disease virus (RHDV) derived peptide, VP60-2
Descriptor: Beta-2-microglobulin, RLA class I histocompatibility antigen, alpha chain 19-1, ...
Authors:Zhang, Q.X, Liu, K.F, Yue, C, Zhang, D, Lu, D, Xiao, W.L, Liu, P.P, Zhao, Y.Z, Gao, G.L, Ding, C.M, Lyu, J.X, Liu, W.J.
Deposit date:2020-02-26
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Strict Assembly Restriction of Peptides from Rabbit Hemorrhagic Disease Virus Presented by Rabbit Major Histocompatibility Complex Class I Molecule RLA-A1.
J.Virol., 94, 2020
6M2J
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BU of 6m2j by Molmil
Uncommon structural features of rabbit MHC class I (RLA-A1) complexed with rabbit haemorrhagic disease virus (RHDV) derived peptide, VP60-1
Descriptor: Beta-2-microglobulin, RLA class I histocompatibility antigen, alpha chain 19-1, ...
Authors:Zhang, Q.X, Liu, K.F, Yue, C, Zhang, D, Lu, D, Xiao, W.L, Liu, P.P, Zhao, Y.Z, Gao, G.L, Ding, C.M, Lyu, J.X, Liu, W.J.
Deposit date:2020-02-27
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Strict Assembly Restriction of Peptides from Rabbit Hemorrhagic Disease Virus Presented by Rabbit Major Histocompatibility Complex Class I Molecule RLA-A1.
J.Virol., 94, 2020
6M2K
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BU of 6m2k by Molmil
Uncommon structural features of rabbit MHC class I (RLA-A1) complexed with rabbit haemorrhagic disease virus (RHDV) derived peptide, VP60-10
Descriptor: Beta-2-microglobulin, RLA class I histocompatibility antigen, alpha chain 19-1, ...
Authors:Zhang, Q.X, Liu, K.F, Yue, C, Zhang, D, Lu, D, Xiao, W.L, Liu, P.P, Zhao, Y.Z, Gao, G.L, Ding, C.M, Lyu, J.X, Liu, W.J.
Deposit date:2020-02-27
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Strict Assembly Restriction of Peptides from Rabbit Hemorrhagic Disease Virus Presented by Rabbit Major Histocompatibility Complex Class I Molecule RLA-A1.
J.Virol., 94, 2020
3NSY
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BU of 3nsy by Molmil
The multi-copper oxidase CueO with six Met to Ser mutations (M358S,M361S,M362S,M364S,M366S,M368S)
Descriptor: Blue copper oxidase cueO, COPPER (II) ION, CU-O-CU LINKAGE
Authors:Roberts, S.A, Montfort, W.R, Singh, S.K.
Deposit date:2010-07-02
Release date:2011-08-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of multicopper oxidase CueO bound to copper(I) and silver(I): functional role of a methionine-rich sequence.
J. Biol. Chem., 286, 2011
8ALU
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BU of 8alu by Molmil
Crystal structure of the teichoic acid binding domain of SlpA, S-layer protein from Lactobacillus acidophilus (aa. 314-444)
Descriptor: PHOSPHATE ION, S-layer protein
Authors:Eder, M, Dordic, A, Sagmeister, T, Vejzovic, D, Pavkov-Keller, T.
Deposit date:2022-08-01
Release date:2023-08-16
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
3NSF
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BU of 3nsf by Molmil
Apo form of the multicopper oxidase CueO
Descriptor: Blue copper oxidase cueO
Authors:Roberts, S.A, Montfort, W.R, Singh, S.K.
Deposit date:2010-07-01
Release date:2011-08-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of multicopper oxidase CueO bound to copper(I) and silver(I): functional role of a methionine-rich sequence.
J. Biol. Chem., 286, 2011
8D6H
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BU of 8d6h by Molmil
Q108K:K40L:T51C:T53A:R58L:Q38F:Q4F mutant of hCRBPII bound to synthetic fluorophore CM1V after UV irradiation
Descriptor: (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form, ACETATE ION, ...
Authors:Bingham, C.R, Geiger, J.H, Borhan, B.
Deposit date:2022-06-06
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins.
Analyst, 148, 2023
3NSC
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BU of 3nsc by Molmil
C500S MUTANT OF CueO BOUND TO Cu(II)
Descriptor: ACETATE ION, Blue copper oxidase cueO, COPPER (II) ION, ...
Authors:Roberts, S.A, Montfort, W.R, Singh, S.K.
Deposit date:2010-07-01
Release date:2011-08-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of multicopper oxidase CueO bound to copper(I) and silver(I): functional role of a methionine-rich sequence.
J. Biol. Chem., 286, 2011
8D6N
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BU of 8d6n by Molmil
Q108K:K40L:T53A:R58L:Q38F:Q4F mutant of hCRBPII bound to synthetic fluorophore CM1V
Descriptor: (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form, ACETATE ION, ...
Authors:Bingham, C.R, Geiger, J.H, Borhan, B.
Deposit date:2022-06-06
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins.
Analyst, 148, 2023
8DB2
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BU of 8db2 by Molmil
Q108K:K40L:T51C:T53A:R58L:Q38F mutant of hCRBPII bound to synthetic fluorophore CM1V
Descriptor: (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form, Retinol-binding protein 2
Authors:Bingham, C.R, Geiger, J.H, Borhan, B, Staples, R.
Deposit date:2022-06-14
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins.
Analyst, 148, 2023
5G2O
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BU of 5g2o by Molmil
Yersinia pestis FabV variant T276A
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C.
Deposit date:2016-04-11
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
8D6L
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BU of 8d6l by Molmil
Q108K:K40L:T51C:T53A:R58L:Q38F:Q4F mutant of hCRBPII bound to synthetic fluorophore CM1V
Descriptor: (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form, GLYCEROL, ...
Authors:Bingham, C.R, Geiger, J.H, Borhan, B.
Deposit date:2022-06-06
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins.
Analyst, 148, 2023
3NT0
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BU of 3nt0 by Molmil
C500S (T1D) Mutant of CueO soaked in and bound to Cu(I)
Descriptor: ACETATE ION, Blue copper oxidase cueO, COPPER (I) ION
Authors:Roberts, S.A, Montfort, W.R, Singh, S.K.
Deposit date:2010-07-02
Release date:2011-08-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of multicopper oxidase CueO bound to copper(I) and silver(I): functional role of a methionine-rich sequence.
J. Biol. Chem., 286, 2011
3NSD
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BU of 3nsd by Molmil
Silver bound to the multicopper oxidase CueO (untagged)
Descriptor: Blue copper oxidase cueO, COPPER (II) ION, OXYGEN ATOM, ...
Authors:Montfort, W.R, Roberts, S.A, Singh, S.K.
Deposit date:2010-07-01
Release date:2011-08-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of multicopper oxidase CueO bound to copper(I) and silver(I): functional role of a methionine-rich sequence.
J. Biol. Chem., 286, 2011
5K3Y
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BU of 5k3y by Molmil
Crystal structure of AuroraB/INCENP in complex with BI 811283
Descriptor: Aurora kinase B-A, Inner centromere protein A, N-methyl-N-(1-methylpiperidin-4-yl)-4-{[4-({(1R,2S)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide
Authors:Bader, G, Zahn, S.K, Zoephel, A.
Deposit date:2016-05-20
Release date:2016-08-17
Last modified:2022-12-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases.
Mol.Cancer Ther., 15, 2016
6WFZ
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BU of 6wfz by Molmil
Crystal structure of Fab399 in complex with NPNA3 peptide from circumsporozoite protein
Descriptor: Fab399 heavy chain, Fab399 light chain, NPNA3 peptide
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2020-04-04
Release date:2020-07-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum.
Nat Commun, 12, 2021
6WFY
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BU of 6wfy by Molmil
Crystal structure of Fab224 in complex with NPNA4 peptide from circumsporozoite protein
Descriptor: Fab224 heavy chain, Fab224 light chain, NPNA4 peptide
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2020-04-04
Release date:2020-07-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.226 Å)
Cite:Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum.
Nat Commun, 12, 2021
5KAE
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BU of 5kae by Molmil
Crystal structure of human PI3K-gamma in complex with quinoline-containing inhibitor 5g
Descriptor: 4-azanyl-6-[[(1~{S})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2016-06-01
Release date:2017-06-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and in vivo evaluation of the potent and selective PI3K-delta inhibitors AM-0687 and AM-1430
To Be Published
7OOJ
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BU of 7ooj by Molmil
Structure of D-Thr53 Ubiquitin
Descriptor: CADMIUM ION, Ubiquitin
Authors:Becker, S.
Deposit date:2021-05-27
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A litmus test for classifying recognition mechanisms of transiently binding proteins.
Nat Commun, 13, 2022
8DN1
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BU of 8dn1 by Molmil
Q108K:K40L:T51C:T53A:R58L:Q38F:Q4F mutant of hCRBPII bound to synthetic fluorophore CM1V at pH 7.2
Descriptor: (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form, GLYCEROL, ...
Authors:Bingham, C.R, Borhan, B, Geiger, J.H.
Deposit date:2022-07-10
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins.
Analyst, 148, 2023
7B3Y
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BU of 7b3y by Molmil
Structure of a nanoparticle for a COVID-19 vaccine candidate
Descriptor: Fibronectin binding protein,2-dehydro-3-deoxyphosphogluconate aldolase/4-hydroxy-2-oxoglutarate aldolase
Authors:Duyvesteyn, H.M.E, Stuart, D.I.
Deposit date:2020-12-01
Release date:2021-01-13
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A COVID-19 vaccine candidate using SpyCatcher multimerization of the SARS-CoV-2 spike protein receptor-binding domain induces potent neutralising antibody responses.
Nat Commun, 12, 2021
6WFX
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BU of 6wfx by Molmil
Crystal structure of Fab395 in complex with NPNA2 peptide from circumsporozoite protein
Descriptor: Fab395 heavy chain, Fab395 light chain, NPNA2 peptide
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2020-04-04
Release date:2020-07-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum.
Nat Commun, 12, 2021
6L5M
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BU of 6l5m by Molmil
Crystal structure of human DEAD-box RNA helicase DDX21 in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Nucleolar RNA helicase 2
Authors:Chen, Z.J, Hu, X.J, Zhou, Z, Li, J.X.
Deposit date:2019-10-24
Release date:2020-06-17
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis of Human Helicase DDX21 in RNA Binding, Unwinding, and Antiviral Signal Activation.
Adv Sci, 7, 2020
3OD3
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BU of 3od3 by Molmil
CueO at 1.1 A resolution including residues in previously disordered region
Descriptor: 1,2-ETHANEDIOL, Blue copper oxidase cueO, COPPER (II) ION, ...
Authors:Montfort, W.R, Roberts, S.A, Singh, S.K.
Deposit date:2010-08-10
Release date:2011-09-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structures of multicopper oxidase CueO bound to copper(I) and silver(I): functional role of a methionine-rich sequence.
J. Biol. Chem., 286, 2011

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