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9CQH
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BU of 9cqh by Molmil
CRYSTAL STRUCTURE OF APO CLEAVED N-TERNMINAL HIS-TAG GAGA-DOG HSP47(36-418) IN A C 2 CRYSTAL FORM
Descriptor: GLYCEROL, SULFATE ION, Serpin H1
Authors:Sheriff, S.
Deposit date:2024-07-19
Release date:2024-10-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Improving the diffraction quality of heat-shock protein 47 crystals.
Acta Crystallogr.,Sect.F, 80, 2024
6T65
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BU of 6t65 by Molmil
Crsytal structure of Acinetobacter baumannii FabG inhibitor complex at 2.35 A resolution
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase, ethyl 6-bromanyl-2-[(dimethylamino)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
9CQI
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BU of 9cqi by Molmil
CRYSTAL STRUCTURE OF GAGA-DOG HSP47(36-418) IN COMPLEX WITH ADNECTIN-44
Descriptor: Serpin H1, anti-HSP47 Adnectin-44
Authors:Sheriff, S.
Deposit date:2024-07-19
Release date:2024-10-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:Improving the diffraction quality of heat-shock protein 47 crystals.
Acta Crystallogr.,Sect.F, 80, 2024
9CQJ
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BU of 9cqj by Molmil
CRYSTAL STRUCTURE OF GAGA-DOG HSP47(36-418) IN COMPLEX WITH ADNECTIN-53
Descriptor: Serpin H1, anti-HSP47 Adnectin-53
Authors:Sheriff, S.
Deposit date:2024-07-19
Release date:2024-10-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.075 Å)
Cite:Improving the diffraction quality of heat-shock protein 47 crystals.
Acta Crystallogr.,Sect.F, 80, 2024
9CQF
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BU of 9cqf by Molmil
CRYSTAL STRUCTURE OF APO C-TERMINAL HIS-TAG DOG HSP47(36-418) IN A C 2 2 21 CRYSTAL FORM
Descriptor: Serpin H1
Authors:Sheriff, S.
Deposit date:2024-07-19
Release date:2024-10-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.928 Å)
Cite:Improving the diffraction quality of heat-shock protein 47 crystals.
Acta Crystallogr.,Sect.F, 80, 2024
9GYH
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BU of 9gyh by Molmil
HEW Lysozyme with His 15 functionalized with iodoacetamide
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:da Silva, J.S.P, Delgado, J.M.L, Bruno, F, Calderone, V, Ravera, E.
Deposit date:2024-10-02
Release date:2025-02-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structure of His15 acetamide-modified hen egg-white lysozyme: a nice surprise from an old friend.
Acta Crystallogr.,Sect.F, 81, 2025
6T60
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BU of 6t60 by Molmil
Crystal structure of Acinetobacter baumannii FabG at 1.66 A resolution
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase
Authors:Vella, P, Schnell, R, Schneider, G.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
6T77
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BU of 6t77 by Molmil
Crystal structure of Klebsiella pneumoniae FabG(NADPH-dependent) NADP-complex at 1.75 A resolution
Descriptor: 3-oxoacyl-ACP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Vella, P, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2019-10-21
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
4YEM
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BU of 4yem by Molmil
Carboplatin binding to HEWL in NaBr crystallisation conditions studied at an X-ray wavelength of 0.9163A - new refinement
Descriptor: ACETATE ION, BROMIDE ION, CHLORIDE ION, ...
Authors:Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A.
Deposit date:2015-02-24
Release date:2015-03-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
4YEK
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BU of 4yek by Molmil
X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with thymidine
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
Authors:Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M.
Deposit date:2015-02-24
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine.
Acta Crystallogr.,Sect.F, 72, 2016
6CYV
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BU of 6cyv by Molmil
E. coli DHFR ternary complex with NADP and dihydrofolate
Descriptor: DIHYDROFOLIC ACID, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J.
Deposit date:2018-04-06
Release date:2019-01-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
5HZM
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BU of 5hzm by Molmil
Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae)
Descriptor: Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION
Authors:DONG, A, ZENG, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, MIN, J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2016-02-02
Release date:2016-02-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural basis of arginine asymmetrical dimethylation by PRMT6.
Biochem. J., 473, 2016
8EHH
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BU of 8ehh by Molmil
Crystal structure of the class A extended-spectrum beta-lactamase CTX-M-96 in complex with relebactam at 1.03 Angstrom resolution
Descriptor: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Power, P, Ghiglione, B, Bonomo, R.A, Rodriguez, M.M, Gutkind, G, Klinke, S.
Deposit date:2022-09-14
Release date:2023-09-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Crystal structure of the class A extended-spectrum beta-lactamase CTX-M-96 in complex with relebactam at 1.03 Angstrom resolution.
Antimicrob.Agents Chemother., 68, 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
5F3H
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BU of 5f3h by Molmil
Structure of myostatin in complex with humanized RK35 antibody
Descriptor: Growth/differentiation factor 8, humanized RK35 antibody heavy chain, humanized RK35 antibody light chain
Authors:Parris, K.D, Mosyak, L.
Deposit date:2015-12-02
Release date:2016-09-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Beyond CDR-grafting: Structure-guided humanization of framework and CDR regions of an anti-myostatin antibody.
Mabs, 8, 2016
5F3B
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BU of 5f3b by Molmil
Structure of myostatin in complex with chimeric RK35 antibody
Descriptor: GLYCEROL, Growth/differentiation factor 8, RK35 Chimeric antibody heavy chain, ...
Authors:Parris, K.D, Mosyak, L.
Deposit date:2015-12-02
Release date:2016-09-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Beyond CDR-grafting: Structure-guided humanization of framework and CDR regions of an anti-myostatin antibody.
Mabs, 8, 2016
7PUX
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BU of 7pux by Molmil
Structure of p97 N-D1(L198W) in complex with Fragment TROLL2
Descriptor: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Bothe, S, Schindelin, H.
Deposit date:2021-10-01
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97
Commun Chem, 5, 2022
5EUJ
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BU of 5euj by Molmil
PYRUVATE DECARBOXYLASE FROM ZYMOBACTER PALMAE
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Pyruvate decarboxylase, ...
Authors:Buddrus, L, Crennell, S.J, Leak, D.J, Danson, M.J, Andrews, E.S.V, Arcus, V.L.
Deposit date:2015-11-18
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of pyruvate decarboxylase from Zymobacter palmae.
Acta Crystallogr.,Sect.F, 72, 2016
8GUH
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BU of 8guh by Molmil
Serine Palmitoyltransferase from Sphingobacterium multivorum complexed with Tris
Descriptor: 1,2-ETHANEDIOL, Serine palmitoyltransferase, [4-[[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
Authors:Murakami, T, Takahashi, A, Katayama, A, Miyahara, I, Kamiya, N, Ikushiro, H, Yano, T.
Deposit date:2022-09-12
Release date:2023-07-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of Sphingobacterium multivorum serine palmitoyltransferase complexed with tris(hydroxymethyl)aminomethane.
Acta Crystallogr.,Sect.F, 78, 2022
9GL5
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BU of 9gl5 by Molmil
X-ray structure of the Thermus thermophilus Q190E mutant of the PilF-GSPIIB domain in the c-di-GMP bound state
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ACETIC ACID, ATP-binding motif-containing protein pilF, ...
Authors:Neissner, K, Woehnert, J.
Deposit date:2024-08-27
Release date:2025-06-25
Last modified:2025-07-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Protonated Glutamate and Aspartate Side Chains Can Recognize Phosphodiester Groups via Strong and Short Hydrogen Bonds in Biomacromolecular Complexes.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GLG
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BU of 9glg by Molmil
X-ray structure of the Thermus thermophilus Q218E mutant of the PilF-GSPIIB domain in the c-di-GMP bound state
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ACETATE ION, ATP-binding motif-containing protein pilF, ...
Authors:Neissner, K, Woehnert, J.
Deposit date:2024-08-27
Release date:2025-06-25
Last modified:2025-07-09
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Protonated Glutamate and Aspartate Side Chains Can Recognize Phosphodiester Groups via Strong and Short Hydrogen Bonds in Biomacromolecular Complexes.
Angew.Chem.Int.Ed.Engl., 64, 2025
5ZQV
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BU of 5zqv by Molmil
Crystal Structure of Protein Phosphate 1 complexed with PP1 binding domain of GM
Descriptor: CITRATE ANION, MANGANESE (II) ION, Protein phosphatase 1 regulatory subunit 3A, ...
Authors:Yu, J, Xiang, S.
Deposit date:2018-04-20
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis for protein phosphatase 1 recruitment by glycogen-targeting subunits.
FEBS J., 285, 2018
7R7M
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BU of 7r7m by Molmil
Crystal structure of Triosephosphate isomerase from Candidate division Katanobacteria (WWE3) bacterium
Descriptor: PHOSPHATE ION, Triosephosphate isomerase
Authors:Vickers, C.J, Patrick, W.M, Fraga, D.
Deposit date:2021-06-24
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of WweTPI - Candidate division WWE3
To Be Published
6XR3
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BU of 6xr3 by Molmil
X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
Descriptor: 3C-like proteinase, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Anson, B, Ghosh, A.K, Mesecar, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-07-10
Release date:2020-08-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
To Be Published
9KZ1
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BU of 9kz1 by Molmil
Crystal structure of PlySb from a chimeolysin ClyR
Descriptor: N-acetylmuramoyl-L-alanine amidase
Authors:Hu, F.
Deposit date:2024-12-09
Release date:2025-10-22
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Domain Interactions in a Chimeric Dual-domain Lysin Lead to Broad Bactericidal Activity.
J.Mol.Biol., 437, 2025

245663

数据于2025-12-03公开中

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