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6DCN
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BU of 6dcn by Molmil
Bcl-xL complex with Beclin 1 BH3 domain T108pThr
Descriptor: BCL-xl protein, Beclin-1
Authors:Lee, E.F, Smith, B.J, Smith, N.A, Yao, S, Fairlie, W.D.
Deposit date:2018-05-07
Release date:2018-05-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.444 Å)
Cite:Structural insights into BCL2 pro-survival protein interactions with the key autophagy regulator BECN1 following phosphorylation by STK4/MST1.
Autophagy, 15, 2019
6D4E
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BU of 6d4e by Molmil
Crystal Structure of a Fc Fragment of Rhesus macaque (Macaca mulatta) IgG1.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Fc Fragment of IgG1
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses.
Mabs, 11, 2019
2PZ0
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BU of 2pz0 by Molmil
Crystal structure of Glycerophosphodiester Phosphodiesterase (GDPD) from T. tengcongensis
Descriptor: CALCIUM ION, GLYCEROL, Glycerophosphoryl diester phosphodiesterase
Authors:Shi, L, Liu, J.F, An, X.M, Liang, D.C.
Deposit date:2007-05-17
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of glycerophosphodiester phosphodiesterase (GDPD) from Thermoanaerobacter tengcongensis, a metal ion-dependent enzyme: insight into the catalytic mechanism.
Proteins, 72, 2008
6DCO
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BU of 6dco by Molmil
Bcl-xL complex with Beclin 1 BH3 domain T108D
Descriptor: Bcl-2-like protein 1,Bcl-2-like protein 1, Beclin-1, CHLORIDE ION
Authors:Lee, E.F, Smith, B.J, Smith, N.A, Yao, S, Fairlie, W.D.
Deposit date:2018-05-07
Release date:2018-05-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Structural insights into BCL2 pro-survival protein interactions with the key autophagy regulator BECN1 following phosphorylation by STK4/MST1.
Autophagy, 15, 2019
6D4I
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BU of 6d4i by Molmil
Crystal Structure of a Fc Fragment of Rhesus macaque (Macaca mulatta) IgG2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc fragment of IgG2
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses.
Mabs, 11, 2019
5FUO
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BU of 5fuo by Molmil
Extending the half-life of a Fab fragment through generation of a humanised anti-Human Serum Albumin (HSA) Fv domain: an investigation into the correlation between affinity and serum half-life
Descriptor: FAB HEAVY CHAIN, FAB LIGHT CHAIN, SERUM ALBUMIN
Authors:Adams, R, Ceska, T.
Deposit date:2016-01-28
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Extending the Half-Life of a Fab Fragment Through Generation of a Humanized Anti-Human Serum Albumin Fv Domain: An Investigation Into the Correlation between Affinity and Serum Half-Life.
Mabs, 8, 2016
8EJN
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BU of 8ejn by Molmil
Structure of dehaloperoxidase A in complex with 2,4-dichlorophenol
Descriptor: 2,4-dichlorophenol, DIMETHYL SULFOXIDE, Dehaloperoxidase A, ...
Authors:Aktar, M.S, de Serrano, V.S, Franzen, S.
Deposit date:2022-09-17
Release date:2023-08-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.481 Å)
Cite:Comparative study of the binding and activation of 2,4-dichlorophenol by dehaloperoxidase A and B.
J.Inorg.Biochem., 247, 2023
1BHC
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BU of 1bhc by Molmil
BOVINE PANCREATIC TRYPSIN INHIBITOR CRYSTALLIZED FROM THIOCYANATE
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, THIOCYANATE ION
Authors:Hamiaux, C, Prange, T.
Deposit date:1998-06-05
Release date:1998-09-16
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The decameric structure of bovine pancreatic trypsin inhibitor (BPTI) crystallized from thiocyanate at 2.7 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
8BWU
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BU of 8bwu by Molmil
Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor
Descriptor: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION
Authors:Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M.
Deposit date:2022-12-07
Release date:2023-10-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors.
Biorxiv, 2024
8ENJ
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BU of 8enj by Molmil
Design, synthesis, biological evaluation, and X-ray crystallography of diarylpyrazole derivatives possessing terminal arylsulfonamide moieties as anti-proliferative agents targeting c-Jun N-terminal kinase (JNK)
Descriptor: Mitogen-activated protein kinase 10, N-[3-({(4P)-4-[(3M)-1-tert-butyl-3-(3-hydroxyphenyl)-1H-pyrazol-4-yl]pyridin-2-yl}amino)propyl]-4-hydroxybenzene-1-sulfonamide
Authors:Park, H, Mersal, K.I.
Deposit date:2022-09-30
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Evaluation of novel pyrazol-4-yl pyridine derivatives possessing arylsulfonamide tethers as c-Jun N-terminal kinase (JNK) inhibitors in leukemia cells.
Eur.J.Med.Chem., 261, 2023
6EZW
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BU of 6ezw by Molmil
Crystal structure of a llama VHH antibody BCD090-M2 against human ErbB3 in space group C2
Descriptor: VHH antibody BCD090-M2
Authors:Eliseev, I.E, Yudenko, A.N, Vysochinskaya, V.V, Svirina, A.A, Evstratyeva, A.V, Drozhzhachih, M.S, Krendeleva, E.A, Vladimirova, A.K, Nemankin, T.A, Ekimova, V.M, Ulitin, A.B, Lomovskaya, M.I, Yakovlev, P.A, Moiseenko, F.V, Chakchir, O.B.
Deposit date:2017-11-16
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.59842849 Å)
Cite:Crystal structures of a llama VHH antibody BCD090-M2 targeting human ErbB3 receptor.
F1000Res, 7, 2018
2RIS
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BU of 2ris by Molmil
Crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase of candida albicans- alternate interpretation
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase
Authors:Stenkamp, R.E, Le Trong, I.
Deposit date:2007-10-12
Release date:2008-01-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase.
Acta Crystallogr.,Sect.D, 64, 2008
6EX7
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BU of 6ex7 by Molmil
Crystal structure of NDM-1 metallo-beta-lactamase in complex with Cd ions and a hydrolyzed beta-lactam ligand - new refinement
Descriptor: 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, CADMIUM ION, ...
Authors:Kim, Y, Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A.
Deposit date:2017-11-07
Release date:2017-12-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
3RLH
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BU of 3rlh by Molmil
Crystal structure of a class II phospholipase D from Loxosceles intermedia venom
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Giuseppe, P.O, Ullah, A, Veiga, S.S, Murakami, M.T, Arni, R.K.
Deposit date:2011-04-19
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure of a novel class II phospholipase D: Catalytic cleft is modified by a disulphide bridge.
Biochem.Biophys.Res.Commun., 409, 2011
6EVG
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BU of 6evg by Molmil
Structural and Functional Characterisation of a Bacterial Laccase-like Multi-copper Oxidase CueO from Lignin-Degrading Bacterium Ochrobactrum sp. with Oxidase Activity towards Lignin Model Compounds and Lignosulfonate
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, Multi-copper Oxidase CueO
Authors:Fulop, V, Wilkinson, R.
Deposit date:2017-11-01
Release date:2018-04-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural and functional characterisation of multi-copper oxidase CueO from lignin-degrading bacterium Ochrobactrum sp. reveal its activity towards lignin model compounds and lignosulfonate.
FEBS J., 285, 2018
2RIU
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BU of 2riu by Molmil
Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase- alternate interpreation
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase, RIBULOSE-5-PHOSPHATE
Authors:Stenkamp, R.E, Le Trong, I.
Deposit date:2007-10-12
Release date:2008-01-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase.
Acta Crystallogr.,Sect.D, 64, 2008
6F0D
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BU of 6f0d by Molmil
Crystal structure of a llama VHH antibody BCD090-M2 against human ErbB3 in space group P1 with cadmium ions
Descriptor: CADMIUM ION, VHH antibody BCD090-M2
Authors:Eliseev, I.E, Yudenko, A.N, Vysochinskaya, V.V, Svirina, A.A, Evstratyeva, A.V, Drozhzhachih, M.S, Krendeleva, E.A, Vladimirova, A.K, Nemankin, T.A, Ekimova, V.M, Ulitin, A.B, Lomovskaya, M.I, Yakovlev, P.A, Moiseenko, F.V, Chakchir, O.B.
Deposit date:2017-11-19
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.90000749 Å)
Cite:Crystal structures of a llama VHH antibody BCD090-M2 targeting human ErbB3 receptor.
F1000Res, 7, 2018
5HMJ
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BU of 5hmj by Molmil
Re-refinement of 4xan: hen lysozyme with carboplatin in sodium bromide solution
Descriptor: ACETATE ION, BROMIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Helliwell, J.R.
Deposit date:2016-01-16
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.299901 Å)
Cite:Re-refinement of 4xan: hen egg-white lysozyme with carboplatin in sodium bromide solution.
Acta Crystallogr F Struct Biol Commun, 72, 2016
4EXO
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BU of 4exo by Molmil
Revised, rerefined crystal structure of PDB entry 2QHK, methyl accepting chemotaxis protein
Descriptor: Methyl-accepting chemotaxis protein, PYRUVIC ACID
Authors:Sweeney, E.G, Henderson, J.N, Goers, J, Wreden, C, Hicks, K.G, Foster, J.K, Parthasarathy, R, Remington, S.J, Guillemin, K.
Deposit date:2012-04-30
Release date:2012-05-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Proposed Mechanism for the pH-Sensing Helicobacter pylori Chemoreceptor TlpB.
Structure, 20, 2012
6FIE
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BU of 6fie by Molmil
Crystallographic structure of calcium loaded Calbindin-D28K.
Descriptor: CALCIUM ION, Calbindin, THIOCYANATE ION
Authors:Noble, J.W, Almalki, R, Roe, S.M, Wagner, A, Dumanc, R, Atack, J.R.
Deposit date:2018-01-18
Release date:2018-10-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:The X-ray structure of human calbindin-D28K: an improved model.
Acta Crystallogr D Struct Biol, 74, 2018
5UYY
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BU of 5uyy by Molmil
Crystal structure of prephenate dehydrogenase tyrA from Bacillus anthracis in complex with L-tyrosine
Descriptor: Prephenate dehydrogenase, TYROSINE
Authors:Shabalin, I.G, Hou, J, Cymborowski, M.T, Kwon, K, Christendat, D, Gritsunov, A.O, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-24
Release date:2017-03-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
6G7Z
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BU of 6g7z by Molmil
Lariat-capping ribozyme with a shortened DP2 stem loop
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lariat-capping ribozyme, MAGNESIUM ION
Authors:Masquida, B, Meyer, M, Olieric, V.
Deposit date:2018-04-06
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.33595 Å)
Cite:Conformational adaptation of UNCG loops upon crowding.
Rna, 25, 2019
5V0S
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BU of 5v0s by Molmil
Crystal structure of the ACT domain of prephenate dehydrogenase tyrA from Bacillus anthracis
Descriptor: CALCIUM ION, Prephenate dehydrogenase, SULFATE ION
Authors:Shabalin, I.G, Hou, J, Cymborowski, M.T, Otwinowski, Z, Kwon, K, Christendat, D, Gritsunov, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-28
Release date:2017-03-08
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
6GEB
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BU of 6geb by Molmil
X-ray structure of the Legionella pneumophila ATPase DotB
Descriptor: DotB, PHOSPHATE ION
Authors:Prevost, M.S, Waksman, G.
Deposit date:2018-04-26
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:X-ray crystal structures of the type IVb secretion system DotB ATPases.
Protein Sci., 27, 2018
3TPJ
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BU of 3tpj by Molmil
APO structure of BACE1
Descriptor: Beta-secretase 1, CHLORIDE ION, SULFATE ION, ...
Authors:Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
Deposit date:2011-09-08
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012

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數據於2024-05-15公開中

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