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5IDB
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BU of 5idb by Molmil
Crystal structure of CGL1 from Crassostrea gigas, mannose-bound form (CGL1/MAN2)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Natterin-3, alpha-D-mannopyranose, ...
Authors:Unno, H.
Deposit date:2016-02-24
Release date:2016-07-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1 Å)
Cite:Identification, Characterization, and X-ray Crystallographic Analysis of a Novel Type of Mannose-Specific Lectin CGL1 from the Pacific Oyster Crassostrea gigas.
Sci Rep, 6, 2016
5VI9
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BU of 5vi9 by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors
Descriptor: N-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A.
Deposit date:2017-04-14
Release date:2018-01-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
8VY0
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BU of 8vy0 by Molmil
Mango II bound to 365A-087
Descriptor: 2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-3-[2-oxo-2-({[(2P)-2-(1H-pyrazol-1-yl)phenyl]methyl}amino)ethyl]-1,3-benzothiazol-3-ium, Chains: A,B,C, POTASSIUM ION
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R, Schneekloth, J.S.
Deposit date:2024-02-06
Release date:2025-02-19
Last modified:2025-10-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-informed design of an ultrabright RNA-activated fluorophore.
Nat.Chem., 17, 2025
6VMT
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BU of 6vmt by Molmil
Leishmania major Programmed Cell Death Protein 5 Homolog
Descriptor: Programmed Cell Death Protein 5 Homolog
Authors:Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2020-01-28
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Leishmania major Programmed Cell Death Protein 5 Homolog
To be published
5IDQ
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BU of 5idq by Molmil
Crystal structure of a Short-chain dehydrogenase/reductase (SDR)from Burkholderia vietnamiensis at 1.55 A resolution
Descriptor: Short-chain dehydrogenase/reductase SDR
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-02-24
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of a Short-chain dehydrogenase/reductase (SDR)from Burkholderia vietnamiensis at 1.55 A resolution
to be published
8VR4
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BU of 8vr4 by Molmil
Structure of Mycobacterium smegmatis 50S ribosomal subunit bound to HflX and erythromycin:50S-HflX-A-Ery
Descriptor: 23S ribosomal RNA, 50S Ribosomal Protein L13, 50S Ribosomal Protein L18, ...
Authors:Majumdar, S, Koripella, R.K, Sharma, M.R, Manjari, S.R, Banavali, N.K, Agrawal, R.K.
Deposit date:2024-01-20
Release date:2025-02-19
Last modified:2025-04-30
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:HflX-mediated drug resistance through ribosome splitting and rRNA disordering in mycobacteria.
Proc.Natl.Acad.Sci.USA, 122, 2025
6VN5
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BU of 6vn5 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 7
Descriptor: Ubiquitin carboxyl-terminal hydrolase 7, [(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone
Authors:Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
Deposit date:2020-01-29
Release date:2020-04-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
6VNT
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BU of 6vnt by Molmil
Tryptophan synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and sodium ion at the metal coordination site at 1.25 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
Authors:Hilario, E, Fan, L, Dunn, M.F, Mueller, L.J.
Deposit date:2020-01-29
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Tryptophan synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and sodium ion at the metal coordination site at 1.25 Angstrom resolution.
To be Published
8W3Y
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BU of 8w3y by Molmil
Crystal structure of a computationally designed metalloprotein containing the metal-chelating, fluorogenic, non-canonical amino acid 3-(8-hydroxyquinolin-3-yl)-L-alanine: apo form
Descriptor: GLYCEROL, Hydroxyquinoline fluorescent protein, SULFATE ION
Authors:Kelly, P.I, Henderson, J.N, Mills, J.H.
Deposit date:2024-02-22
Release date:2025-02-26
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Computational design of a fluorogenic metalloprotein containing the non-canonical amino acid 3-(8-hydroxyquinolin-3-yl)-L-alanine
To Be Published
5IJZ
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BU of 5ijz by Molmil
Crystal structure of glutamate dehydrogenase(GDH) from Corynebacterium glutamicum
Descriptor: 2-OXOGLUTARIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-specific glutamate dehydrogenase
Authors:Son, H.-F, Kim, K.-J.
Deposit date:2016-03-03
Release date:2016-03-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural insights into domain movement and cofactor specificity of glutamate dehydrogenase from Corynebacterium glutamicum
BIOCHEM.BIOPHYS.RES.COMMUN., 459, 2015
5W22
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BU of 5w22 by Molmil
Crystal structure of human WT-KRAS in complex with GDP
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A.
Deposit date:2017-06-05
Release date:2017-12-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras.
Acta Crystallogr D Struct Biol, 73, 2017
5W25
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BU of 5w25 by Molmil
Crystal structure of Aspartyl-tRNA synthetase from Mycobacterium tuberculosis complexed with L-Aspartic Acid
Descriptor: ASPARTIC ACID, Aspartate--tRNA(Asp/Asn) ligase, GLUTAMIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-06-05
Release date:2017-06-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of Aspartyl-tRNA synthetase from Mycobacterium tuberculosis complexed with L-Aspartic Acid
to be published
8VMD
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BU of 8vmd by Molmil
Modifying portion of human FASN with NADP+ and the ACP at the DH domain
Descriptor: Fatty acid synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Schultz, K, Marmorstein, R.
Deposit date:2024-01-13
Release date:2025-02-26
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Snapshots of acyl carrier protein shuttling in human fatty acid synthase.
Nature, 641, 2025
8W3Z
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BU of 8w3z by Molmil
Crystal structure of a computationally designed metalloprotein containing the metal-chelating, fluorogenic, non-canonical amino acid 3-(8-hydroxyquinolin-3-yl)-L-alanine: magnesium-bound form
Descriptor: Hydroxyquinoline fluorescent protein, MAGNESIUM ION, SULFATE ION
Authors:Kelly, P.I, Henderson, J.N, Mills, J.H.
Deposit date:2024-02-22
Release date:2025-02-26
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Computational design of a fluorogenic metalloprotein containing the non-canonical amino acid 3-(8-hydroxyquinolin-3-yl)-L-alanine
To Be Published
6VOB
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BU of 6vob by Molmil
Artificial Metalloproteins with Dinuclear Iron Centers
Descriptor: ACETATE ION, AZIDE ION, Streptavidin, ...
Authors:Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S.
Deposit date:2020-01-30
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers.
J.Am.Chem.Soc., 143, 2021
5W2V
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BU of 5w2v by Molmil
Crystal structure of mutant CJ YCEI protein (CJ-G34C) with selenocysteine guest structure
Descriptor: Putative periplasmic protein, SELENOCYSTEINE, SULFATE ION, ...
Authors:Huber, T.R, Snow, C.D.
Deposit date:2017-06-07
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Installing Guest Molecules at Specific Sites within Scaffold Protein Crystals.
Bioconjug. Chem., 29, 2018
5IDV
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BU of 5idv by Molmil
Structure of the nucleotide binding domain of an ABC transporter MsbA from Acinetobacter baumannii
Descriptor: 1,2-ETHANEDIOL, Lipid A export ATP-binding/permease protein MsbA
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-02-24
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of the nucleotide binding domain of an ABC transporter MsbA from Acinetobacter baumannii
to be published
8VXZ
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BU of 8vxz by Molmil
Mango II bound to 365A-084
Descriptor: 3-[2-(benzylamino)-2-oxoethyl]-2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium, Chains: A,B,C, POTASSIUM ION
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R, Schneekloth, J.S.
Deposit date:2024-02-06
Release date:2025-02-19
Last modified:2025-10-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-informed design of an ultrabright RNA-activated fluorophore.
Nat.Chem., 17, 2025
5IDY
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BU of 5idy by Molmil
Crystal structure of an oxidoreductase from Burkholderia vietnamiensis in complex with NADP
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-02-24
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of an oxidoreductase from Burkholderia vietnamiensis in complex with NADP
to be published
8VY1
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BU of 8vy1 by Molmil
Mango II bound to 365A-088
Descriptor: 3-(2-{[(2-fluorophenyl)methyl]amino}-2-oxoethyl)-2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium, Chains: A,B,C, POTASSIUM ION
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R, Schneekloth, J.S.
Deposit date:2024-02-06
Release date:2025-02-19
Last modified:2025-10-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-informed design of an ultrabright RNA-activated fluorophore.
Nat.Chem., 17, 2025
6W0G
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BU of 6w0g by Molmil
Closed-gate KcsA soaked in 1mM KCl/5mM BaCl2
Descriptor: Fab Heavy Chain, Fab Light Chain, POTASSIUM ION, ...
Authors:Rohaim, A, Gong, L, Li, J.
Deposit date:2020-02-29
Release date:2020-07-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
5W3D
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BU of 5w3d by Molmil
The structure of kinesin-14 wild-type Ncd-ADP dimer
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein claret segregational
Authors:Park, H.W, Ma, Z, Chacko, J, Jiang, S.M, Robinson, R.C, Endow, S.A.
Deposit date:2017-06-07
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
8VY5
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BU of 8vy5 by Molmil
Crystal structure of human SAE1
Descriptor: SUMO-activating enzyme subunit 1, N-terminally processed
Authors:Huang, X, Qian, J, Yang, Y.
Deposit date:2024-02-07
Release date:2025-02-19
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of human SAE1
To Be Published
8W16
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BU of 8w16 by Molmil
Pyroglutamaic acid position 1 synthetic analogue of RgIA
Descriptor: Alpha-conotoxin RgIA
Authors:Agwa, A.J.
Deposit date:2024-02-15
Release date:2025-03-05
Method:SOLUTION NMR
Cite:On-resin bicyclization improves synthesis of alpha-conotoxin RgIA4-6
To Be Published
5IM6
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BU of 5im6 by Molmil
Crystal structure of designed two-component self-assembling icosahedral cage I32-28
Descriptor: Designed self-assembling icosahedral cage I32-28 dimeric subunit, Designed self-assembling icosahedral cage I32-28 trimeric subunit
Authors:Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O.
Deposit date:2016-03-05
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (5.588 Å)
Cite:Accurate design of megadalton-scale two-component icosahedral protein complexes.
Science, 353, 2016

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数据于2025-10-22公开中

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