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3RU1
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BU of 3ru1 by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide
Descriptor: 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-04
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
4P5U
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BU of 4p5u by Molmil
Crystal structure of TatD
Descriptor: Tat-linked quality control protein TatD
Authors:Chen, Y, Li, C.-L, Hsiao, Y.-Y, Duh, Y, Yuan, H.S.
Deposit date:2014-03-20
Release date:2014-08-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and function of TatD exonuclease in DNA repair.
Nucleic Acids Res., 42, 2014
4PE8
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BU of 4pe8 by Molmil
Crystal structure of TatD in complex with trinucleotide DNA
Descriptor: DNA (5'-D(*GP*CP*T)-3'), Tat-linked quality control protein TatD
Authors:Chen, Y, Li, C.-L, Hsiao, Y.-Y, Duh, Y, Yuan, H.S.
Deposit date:2014-04-23
Release date:2014-08-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.894 Å)
Cite:Structure and function of TatD exonuclease in DNA repair.
Nucleic Acids Res., 42, 2014
8OGX
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BU of 8ogx by Molmil
Beta-glucuronidase from Acidobacterium capsulatum in complex with inhibitor R3794
Descriptor: (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, PHOSPHATE ION, beta-glucuronidase from Acidobacterium capsulatum
Authors:Moran, E.M, Davies, G.J, Chen, C, Nieuwendijk, E.V, Wu, L, Skoulikopoulou, F, Riet, V.V, Overkleeft, H.S, Armstrong, Z.
Deposit date:2023-03-20
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
8CME
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BU of 8cme by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Membrane peptide M176-190
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HLA class II histocompatibility antigen, ...
Authors:MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMB
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BU of 8cmb by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S486-505
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ...
Authors:MacLachlan, B.J, Mason, G.H, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMD
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BU of 8cmd by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S761-775
Descriptor: 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMH
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BU of 8cmh by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Omicron (BA.1) Spike peptide S486-505
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ...
Authors:MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMC
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BU of 8cmc by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S511-530
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HLA class II histocompatibility antigen, ...
Authors:MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMG
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BU of 8cmg by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 nsp14 peptide (orf1ab)6420-6434
Descriptor: 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMF
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BU of 8cmf by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 nsp3 epitope (orf1ab)1350-1364
Descriptor: 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMI
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BU of 8cmi by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Omicron (BA.1) Spike peptide S761-775
Descriptor: 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8GK7
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BU of 8gk7 by Molmil
MsbA bound to cerastecin C
Descriptor: 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid, Lipid A export ATP-binding/permease protein MsbA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Chen, Y, Klein, D.
Deposit date:2023-03-17
Release date:2024-04-24
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Cerastecins inhibit membrane lipooligosaccharide transport in drug-resistant Acinetobacter baumannii.
Nat Microbiol, 9, 2024
8OHX
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BU of 8ohx by Molmil
Crystal structure of Beta-glucuronidase from Escherichia coli in complex with siastatin B derived inhibitor
Descriptor: (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, Beta-D-glucuronidase
Authors:Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2023-03-21
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
8OHQ
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BU of 8ohq by Molmil
Crystal structure of human heparanase in complex with competitive inhibitor derrived from siastatin B
Descriptor: (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, L, Davies, G.J, Overkleeft, H.S, Armstrong, Z, Yurong, C.
Deposit date:2023-03-21
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
8OHV
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BU of 8ohv by Molmil
Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with glucuronic acid configured 3-geminal diol iminosugar inhibitor
Descriptor: (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, SULFATE ION, beta-glucuronidase from Acidobacterium capsulatum
Authors:Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2023-03-21
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
8OHR
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BU of 8ohr by Molmil
Crystal structure of human heparanase in complex with glucuronic acid configured 3-geminal diol iminosugar inhibitor
Descriptor: (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2023-03-21
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
8OHW
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BU of 8ohw by Molmil
Crystal structure of heparanase from Burkholderia pseudomallei in complex with siastatin B derived inhibitor
Descriptor: (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, Glycoside hydrolase family 44 domain-containing protein
Authors:Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2023-03-21
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
8OHT
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BU of 8oht by Molmil
Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with competitive inhibitor derrived from siastatin B
Descriptor: (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, SULFATE ION, beta-glucuronidase from Acidobacterium capsulatum
Authors:Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2023-03-21
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
8OHU
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BU of 8ohu by Molmil
Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with glucuronic acid configured isofagamine
Descriptor: (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, beta-glucuronidase from Acidobacterium capsulatum
Authors:Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2023-03-21
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
6IZH
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BU of 6izh by Molmil
Crystal structure of deaminase AmnE from Pseudomonas sp. AP-3
Descriptor: 2-aminomuconate deaminase, MAGNESIUM ION
Authors:Chen, Y.J, Chen, Y.P, Su, D.
Deposit date:2018-12-19
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.754 Å)
Cite:A Unique Homo-Hexameric Structure of 2-Aminomuconate Deaminase in the BacteriumPseudomonas species AP-3.
Front Microbiol, 10, 2019
5K8Q
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BU of 5k8q by Molmil
Crystal Structure of Calcium-loaded Calmodulin in complex with STRA6 CaMBP2-site peptide.
Descriptor: CALCIUM ION, Calmodulin, IMIDAZOLE, ...
Authors:Stowe, S.D, Clarke, O.B, Cavalier, M.C, Godoy-Ruiz, R, Mancia, F, Weber, D.J.
Deposit date:2016-05-30
Release date:2016-08-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.739 Å)
Cite:Structure of the STRA6 receptor for retinol uptake.
Science, 353, 2016
6IMK
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BU of 6imk by Molmil
The crystal structure of AsfvLIG:CG complex
Descriptor: DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*G)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
Authors:Chen, Y.Q, Gan, J.H.
Deposit date:2018-10-23
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
6IMN
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BU of 6imn by Molmil
The crystal structure of AsfvLIG:CT2 complex
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
Authors:Chen, Y.Q, Gan, J.H.
Deposit date:2018-10-23
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
6IML
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BU of 6iml by Molmil
The crystal structure of AsfvLIG:CT1 complex
Descriptor: DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*T)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
Authors:Chen, Y.Q, Gan, J.H.
Deposit date:2018-10-23
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019

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