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4D3T
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BU of 4d3t by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide
Descriptor: CHLORIDE ION, GLYCEROL, N-PROPANOL, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2014-10-23
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4D3I
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BU of 4d3i by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-((5-(aminomethyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine)
Descriptor: 6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), GLYCEROL, N-PROPANOL, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2014-10-22
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4D3V
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BU of 4d3v by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide
Descriptor: CHLORIDE ION, GLYCEROL, N-PROPANOL, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2014-10-23
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4D3U
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BU of 4d3u by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase H128S in complex with N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide
Descriptor: CHLORIDE ION, GLYCEROL, N-PROPANOL, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2014-10-23
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
8IYG
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BU of 8iyg by Molmil
Human neuronal gap junction channel connexin 36
Descriptor: CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, Gap junction delta-2 protein
Authors:Mao, W.X, Chen, S.S.
Deposit date:2023-04-04
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Assembly mechanisms of the neuronal gap junction channel connexin 36 elucidated by Cryo-EM.
Arch.Biochem.Biophys., 754, 2024
4YZ9
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BU of 4yz9 by Molmil
Crystal Structure of human phosphorylated IRE1alpha in complex with a type III kinase inhibitor (GSK2850163A)
Descriptor: (5R)-2-(3,4-dichlorobenzyl)-N-(4-methylbenzyl)-2,7-diazaspiro[4.5]decane-7-carboxamide, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Concha, N.O.
Deposit date:2015-03-24
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.463 Å)
Cite:Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity.
Mol.Pharmacol., 88, 2015
4YZC
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BU of 4yzc by Molmil
Crystal structure of pIRE1alpha in complex with staurosporine
Descriptor: STAUROSPORINE, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Concha, N.O.
Deposit date:2015-03-24
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity.
Mol.Pharmacol., 88, 2015
4YZD
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BU of 4yzd by Molmil
Crystal Structure of human phosphorylated IRE1alpha in complex with ADP-Mg
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Concha, N.O.
Deposit date:2015-03-24
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity.
Mol.Pharmacol., 88, 2015
4IKP
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BU of 4ikp by Molmil
Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin
Descriptor: (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
Authors:Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-12-27
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
8SDV
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BU of 8sdv by Molmil
Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid inhibitor S02030
Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ...
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
8SDT
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BU of 8sdt by Molmil
Crystal structure of PDC-3 beta-lactamase in complex with the boronic acid inhibitor S02030
Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, IMIDAZOLE
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
8SDS
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BU of 8sds by Molmil
Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid inhibitor LP-06
Descriptor: Beta-lactamase, IMIDAZOLE, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
8SDL
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BU of 8sdl by Molmil
Crystal structure of PDC-3 beta-lactamase
Descriptor: Beta-lactamase, IMIDAZOLE, ISOPROPYL ALCOHOL
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
8SDR
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BU of 8sdr by Molmil
Crystal structure of PDC-3 beta-lactamase in complex with the boronic acid inhibitor LP-06
Descriptor: Beta-lactamase, IMIDAZOLE, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 2023
8SDN
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BU of 8sdn by Molmil
Crystal structure of PDC-3 Y221H beta-lactamase
Descriptor: Beta-lactamase, ISOPROPYL ALCOHOL
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
5UCW
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BU of 5ucw by Molmil
Cytochrome P411 P-4 A82L A78V F263L amination catalyst
Descriptor: NADPH-cytochrome P450 reductase 102A1V3, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zhang, R.K, Buller, A.R, Arnold, F.H.
Deposit date:2016-12-22
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Enantioselective, intermolecular benzylic C-H amination catalysed by an engineered iron-haem enzyme.
Nat Chem, 9, 2017
8T4S
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BU of 8t4s by Molmil
MERS-CoV Nsp1 protein bound to the Human 40S Ribosomal subunit
Descriptor: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Devarkar, S.C, Xiong, Y.
Deposit date:2023-06-09
Release date:2023-10-04
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis for translation inhibition by MERS-CoV Nsp1 reveals a conserved mechanism for betacoronaviruses.
Cell Rep, 42, 2023
4R29
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BU of 4r29 by Molmil
Crystal structure of bacterial cysteine methyltransferase effector NleE
Descriptor: CITRIC ACID, GLYCEROL, S-ADENOSYLMETHIONINE, ...
Authors:Yao, Q, Chen, J, Hu, L, Zhang, L, Shao, F.
Deposit date:2014-08-11
Release date:2014-12-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structure and Specificity of the Bacterial Cysteine Methyltransferase Effector NleE Suggests a Novel Substrate in Human DNA Repair Pathway.
Plos Pathog., 10, 2014
6JIV
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BU of 6jiv by Molmil
SspE crystal structure
Descriptor: SspE protein
Authors:Bing, Y.Z, Yang, H.G.
Deposit date:2019-02-23
Release date:2020-03-25
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
6JUF
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BU of 6juf by Molmil
SspB crystal structure
Descriptor: SspB protein
Authors:Liqiong, L, Yubing, Z.
Deposit date:2019-04-13
Release date:2020-03-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.587 Å)
Cite:SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
7E9B
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BU of 7e9b by Molmil
Structural basis of HLX10 PD-1 receptor recognition, a promising anti-PD-1 antibody clinical candidate for cancer immunotherapy
Descriptor: Programmed cell death protein 1, heavy chain of Fab fragment of HLX10, light chain of Fab fragment of HLX10
Authors:Fan, S.L, Jiang, W.D.
Deposit date:2021-03-04
Release date:2021-07-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural basis of HLX10 PD-1 receptor recognition, a promising anti-PD-1 antibody clinical candidate for cancer immunotherapy.
Plos One, 16, 2021
6LB9
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BU of 6lb9 by Molmil
Magnesium ion-bound SspB crystal structure
Descriptor: DUF4007 domain-containing protein, MAGNESIUM ION
Authors:Liqiong, L, Yubing, Z.
Deposit date:2019-11-13
Release date:2020-03-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.227 Å)
Cite:SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
7E3X
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BU of 7e3x by Molmil
Crystal structure of SDR family NAD(P)-dependent oxidoreductase from exiguobacterium
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase
Authors:Chen, L, Tang, J, Yuan, S, Zhang, F, Chen, S.
Deposit date:2021-02-09
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structure-guided evolution of a ketoreductase forefficient and stereoselective bioreduction of bulkyalpha-aminobeta-keto esters
Catalysis Science And Technology, 2021
6LQE
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BU of 6lqe by Molmil
Crystal structure of Arabidopsis ARID5 PHD finger in complex with H3K4me3 peptide
Descriptor: 15-mer peptide from Histone H3.2, AT-rich interactive domain-containing protein 4, ZINC ION
Authors:Liu, R, Du, J.
Deposit date:2020-01-13
Release date:2020-06-03
Last modified:2020-08-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dual Recognition of H3K4me3 and DNA by the ISWI Component ARID5 Regulates the Floral Transition in Arabidopsis.
Plant Cell, 32, 2020
6LQF
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BU of 6lqf by Molmil
Crystal structure of Arabidopsis ARID5 ARID-PHD cassette in complex with H3K4me3 peptide and DNA
Descriptor: 15-mer peptide from Histone H3.2, AT-rich interactive domain-containing protein 4, DNA (5'-D(*TP*TP*TP*AP*GP*AP*TP*CP*TP*AP*AP*A)-3'), ...
Authors:Liu, R, Du, J.
Deposit date:2020-01-13
Release date:2020-06-03
Last modified:2020-08-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Dual Recognition of H3K4me3 and DNA by the ISWI Component ARID5 Regulates the Floral Transition in Arabidopsis.
Plant Cell, 32, 2020

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