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4J47
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BU of 4j47 by Molmil
Crystal structure of XIAP-BIR2 domain with SVPI bound
Descriptor: E3 ubiquitin-protein ligase XIAP, PEPTIDE (SER-VAL-PRO-ILE), ZINC ION
Authors:Lukacs, C.M, Janson, C.A.
Deposit date:2013-02-06
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
5HZ5
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BU of 5hz5 by Molmil
FABP5 in complex with 6-Chloro-4-phenyl-2-piperidin-1-yl-3-(1H-tetrazol-5-yl)-quinoline
Descriptor: 6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)quinoline, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
Authors:Ehler, A, Rudolph, M.G.
Deposit date:2016-02-02
Release date:2017-01-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
5HZ6
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BU of 5hz6 by Molmil
FABP4 in complex with 6-Chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid
Descriptor: 6-Chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid, Fatty acid-binding protein, adipocyte
Authors:Ehler, A, Rudolph, M.G.
Deposit date:2016-02-02
Release date:2016-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
5HZ9
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BU of 5hz9 by Molmil
human FABP3 in complex with 6-Chloro-2-methyl-4-phenyl-quinoline-3-carboxylic acid
Descriptor: 6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid, CHLORIDE ION, Fatty acid-binding protein, ...
Authors:Ehler, A, Rudolph, M.G.
Deposit date:2016-02-02
Release date:2016-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
5HZ8
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BU of 5hz8 by Molmil
FABP4_3 in complex with 6,8-Dichloro-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid
Descriptor: 6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
Authors:Ehler, A, Rudolph, M.G.
Deposit date:2016-02-02
Release date:2016-12-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
7WNW
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BU of 7wnw by Molmil
Crystal structure of Imine Reductase Mutant(M5) from Actinoalloteichus hymeniacidonis in complex with NADPH
Descriptor: 3-hydroxyisobutyrate dehydrogenase-like beta-hydroxyacid dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhand, J, Chen, R, Gao, S.
Deposit date:2022-01-19
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Tuning an Imine Reductase for the Asymmetric Synthesis of Azacycloalkylamines by Concise Structure-Guided Engineering.
Angew.Chem.Int.Ed.Engl., 61, 2022
7WNN
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BU of 7wnn by Molmil
Crystal structure of Imine Reductase from Actinoalloteichus hymeniacidonis in complex with NADPH
Descriptor: 3-hydroxyisobutyrate dehydrogenase-like beta-hydroxyacid dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J, Chen, R, Gao, S.
Deposit date:2022-01-19
Release date:2022-04-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Tuning an Imine Reductase for the Asymmetric Synthesis of Azacycloalkylamines by Concise Structure-Guided Engineering.
Angew.Chem.Int.Ed.Engl., 61, 2022
4J46
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BU of 4j46 by Molmil
Crystal structure of XIAP-BIR2 domain with AVPI bound
Descriptor: E3 ubiquitin-protein ligase XIAP, PEPTIDE (ALA-VAL-PRO-ILE), ZINC ION
Authors:Lukacs, C.M, Janson, C.A.
Deposit date:2013-02-06
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
4J45
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BU of 4j45 by Molmil
Crystal structure of XIAP-BIR2 domain with ATAA bound
Descriptor: E3 ubiquitin-protein ligase XIAP, PEPTIDE (ALA-THR-ALA-ALA), ZINC ION
Authors:Lukacs, C.M, Janson, C.A.
Deposit date:2013-02-06
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
7E9Q
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BU of 7e9q by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 out RBD, state3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-03-04
Release date:2022-03-09
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7E9O
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BU of 7e9o by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(3 up RBDs, state2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-03-04
Release date:2022-03-09
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7E9P
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BU of 7e9p by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(state2, local refinement of the RBD and 35B5 Fab)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-03-04
Release date:2022-03-23
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7E9N
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BU of 7e9n by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 down RBD, state1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-03-04
Release date:2022-04-06
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7ENG
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BU of 7eng by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with Fab30 (local refinement of the RBD and Fab30)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab30, Light chain of Fab30, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-04-16
Release date:2022-04-06
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7ENF
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BU of 7enf by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with Fab30
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab30, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-04-16
Release date:2022-04-06
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
4KJU
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BU of 4kju by Molmil
Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor.
Descriptor: E3 ubiquitin-protein ligase XIAP, N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide, ZINC ION
Authors:Lukacs, C.M, Janson, C.A.
Deposit date:2013-05-03
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
4J44
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BU of 4j44 by Molmil
Crystal structure of XIAP-BIR2 domain with AIAV bound
Descriptor: E3 ubiquitin-protein ligase XIAP, PEPTIDE (ALA-ILE-ALA-VAL), ZINC ION
Authors:Lukacs, C.M, Janson, C.A.
Deposit date:2013-02-06
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
4MEJ
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BU of 4mej by Molmil
Crystal structure of Lactobacillus helveticus purine deoxyribosyl transferase (PDT) with the tricyclic purine 8,9-dihydro-9-oxoimidazo[2,1-b]purine (N2,3-ethenoguanine)
Descriptor: 3H-imidazo[2,1-b]purin-4(5H)-one, Nucleoside deoxyribosyltransferase, SULFATE ION
Authors:Paul, D, Seckute, J, Ealick, S.E.
Deposit date:2013-08-26
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Glycosylation of a tricyclic purine analog at alternative sites by nucleoside 2 -deoxyribosyltransferases
Plos One, 2014
7F46
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BU of 7f46 by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab (state1, local refinement of the RBD, NTD and 35B5 Fab)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-06-17
Release date:2022-03-23
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (4.79 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
4KJV
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BU of 4kjv by Molmil
Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor.
Descriptor: 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Lukacs, C.M, Janson, C.A.
Deposit date:2013-05-03
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
4J3Y
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BU of 4j3y by Molmil
Crystal structure of XIAP-BIR2 domain
Descriptor: E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Lukacs, C.M, Janson, C.A.
Deposit date:2013-02-06
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
4J48
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BU of 4j48 by Molmil
Crystal structure of XIAP-BIR2 domain with AMRV bound
Descriptor: E3 ubiquitin-protein ligase XIAP, GLYCEROL, PEPTIDE (ALA-MET-ARG-VAL), ...
Authors:Gosu, R.
Deposit date:2013-02-06
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
5XH6
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BU of 5xh6 by Molmil
Crystal structure of the Acidaminococcus sp. BV3L6 Cpf1 RVR variant in complex with crRNA and target DNA (TATA PAM)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, CRISPR-associated endonuclease Cpf1, ...
Authors:Nishimasu, H, Yamano, T, Ishitani, R, Nureki, O.
Deposit date:2017-04-19
Release date:2017-06-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the Altered PAM Recognition by Engineered CRISPR-Cpf1
Mol. Cell, 67, 2017
5YX2
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BU of 5yx2 by Molmil
Crystal structure of DNMT3A-DNMT3L in complex with DNA containing two CpG sites
Descriptor: DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, ...
Authors:Zhang, Z.M, Song, J.
Deposit date:2017-12-01
Release date:2018-01-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.653 Å)
Cite:Structural basis for DNMT3A-mediated de novo DNA methylation.
Nature, 554, 2018
8JMX
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BU of 8jmx by Molmil
The crystal structure of human aurka kinase domain in complex with AURKA-A2
Descriptor: 5-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde, Aurora kinase A
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2023-06-05
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.95020175 Å)
Cite:Multitarget inhibitors/probes that target LRRK2 and AURORA A kinases noncovalently and covalently.
Chem.Commun.(Camb.), 59, 2023

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数据于2024-06-12公开中

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