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3DGD
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BU of 3dgd by Molmil
Crystal structure of the F87M/L110M mutant of human transthyretin at pH 4.6
Descriptor: ACETATE ION, GLYCEROL, Transthyretin, ...
Authors:Palmieri, L.C, Freire, J.B.B, Foguel, D, Lima, L.M.T.R.
Deposit date:2008-06-13
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.383 Å)
Cite:Novel Zn2+-binding sites in human transthyretin: implications for amyloidogenesis and retinol-binding protein recognition.
J.Biol.Chem., 285, 2010
4W7W
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BU of 4w7w by Molmil
High-resolution structure of XacCel5A in complex with cellopentaose
Descriptor: Cellulase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Paiva, J.H, Murakami, M.T.
Deposit date:2014-08-22
Release date:2015-10-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:High-resolution structure of XacCel5A in complex with cellopentaose
To Be Published
9B68
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BU of 9b68 by Molmil
GluA2 flip Q in complex with TARPgamma2 at pH8, class1, structure of NTD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Flip of Glutamate receptor 2, ...
Authors:Nakagawa, T, Greger, I.H.
Deposit date:2024-03-23
Release date:2024-07-31
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Proton-triggered rearrangement of the AMPA receptor N-terminal domains impacts receptor kinetics and synaptic localization.
Nat.Struct.Mol.Biol., 31, 2024
4W89
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BU of 4w89 by Molmil
Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from metagenomic library, in complex with cellotriose
Descriptor: MAGNESIUM ION, Xyloglucan-specific endo-beta-1,4-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Biochemistry, 54, 2015
9M0I
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BU of 9m0i by Molmil
Structure of the intermediate of lactoperoxidase formed with thiocynate and hydrogen peroxidase at 1.99 A resolution.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Viswanathan, V, Maurya, A, Sirohi, H.V, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2025-02-24
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Structure of the intermediate of lactoperoxidase formed with thiocynate and hydrogen peroxidase at 1.99 A resolution.
To Be Published
3DFR
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BU of 3dfr by Molmil
CRYSTAL STRUCTURES OF ESCHERICHIA COLI AND LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE REFINED AT 1.7 ANGSTROMS RESOLUTION. I. GENERAL FEATURES AND BINDING OF METHOTREXATE
Descriptor: DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Filman, D.J, Matthews, D.A, Bolin, J.T, Kraut, J.
Deposit date:1982-06-25
Release date:1982-10-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate.
J.Biol.Chem., 257, 1982
8ACX
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BU of 8acx by Molmil
Pathogen effector of Zymoseptoria tritici: Zt-KP4
Descriptor: Hce2 domain-containing protein
Authors:Hoh, F, Padilla, A, De Guillen, K.
Deposit date:2022-07-07
Release date:2024-01-17
Last modified:2025-01-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Zymoseptoria tritici effectors structurally related to killer proteins UmV-KP4 and UmV-KP6 are toxic to fungi, and define extended protein families in fungi
Biorxiv, 2024
9B69
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BU of 9b69 by Molmil
GluA2 flip Q in complex with TARPgamma2 at pH8, class12, structure of NTD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Flip of Glutamate receptor 2, ...
Authors:Nakagawa, T, Greger, I.H.
Deposit date:2024-03-23
Release date:2024-07-31
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Proton-triggered rearrangement of the AMPA receptor N-terminal domains impacts receptor kinetics and synaptic localization.
Nat.Struct.Mol.Biol., 31, 2024
3DAS
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BU of 3das by Molmil
Structure of the PQQ-bound form of Aldose Sugar Dehydrogenase (Adh) from Streptomyces coelicolor
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, PYRROLOQUINOLINE QUINONE, ...
Authors:Southall, S.M, Doel, J.J, Oubrie, A, Richardson, D.J.
Deposit date:2008-05-30
Release date:2009-06-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Enzymatic Characterization of a Thermostable PQQ-dependent Soluble Aldose Sugar Dehydrogenase
To be Published
6TPM
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BU of 6tpm by Molmil
Crystal structure of AmpC from E.coli with Relebactam (MK-7655)
Descriptor: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ...
Authors:Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
Deposit date:2019-12-13
Release date:2020-11-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes.
Antimicrob.Agents Chemother., 65, 2021
9BCG
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BU of 9bcg by Molmil
Myeloid cell leukemia-1 (Mcl-1) complexed with compound
Descriptor: 7-[(4R,5S,6P)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-4,5-dimethoxy-1-methyl-1H-indole-2-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Zhao, B, Fesik, S.W.
Deposit date:2024-04-09
Release date:2024-08-07
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Discovery of a Myeloid Cell Leukemia 1 (Mcl-1) Inhibitor That Demonstrates Potent In Vivo Activities in Mouse Models of Hematological and Solid Tumors.
J.Med.Chem., 67, 2024
8B5T
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BU of 8b5t by Molmil
Crystal structure of Quinonoid dihydropteridine reductase from Leishmania major
Descriptor: Quinonoid dihydropteridine reductase
Authors:Robinson, D.A, Fairlamb, A.H.
Deposit date:2022-09-24
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Quinonoid dihydropteridine reductase from Leishmania major
To Be Published
9BGE
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BU of 9bge by Molmil
Cryo-EM structure of mAb8-24 bound to 426c.WITO.TM.SOSIP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 426c.WITO.TM.SOSIP, ...
Authors:Hurlburt, N.K, Pancera, M.
Deposit date:2024-04-18
Release date:2024-09-04
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Short CDRL1 in intermediate VRC01-like mAbs is not sufficient to overcome key glycan barriers on HIV-1 Env.
J.Virol., 98, 2024
4W79
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BU of 4w79 by Molmil
Crystal Structure of Human Protein N-terminal Glutamine Amidohydrolase
Descriptor: 1,2-ETHANEDIOL, CARBONATE ION, Protein N-terminal glutamine amidohydrolase, ...
Authors:Bitto, E, Bingman, C.A, McCoy, J.G, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2014-08-21
Release date:2014-09-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of human protein N-terminal glutamine amidohydrolase, an initial component of the N-end rule pathway.
Plos One, 9, 2014
8BB2
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BU of 8bb2 by Molmil
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2)
Descriptor: 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ...
Authors:Kraemer, A, Doelle, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-10-12
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2)
To Be Published
8BB3
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BU of 8bb3 by Molmil
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #1)
Descriptor: 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ...
Authors:Kraemer, A, Doelle, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-10-12
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #1)
To Be Published
4W8B
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BU of 4w8b by Molmil
Crystal structure of XEG5B, a GH5 xyloglucan-specific beta-1,4-glucanase from ruminal metagenomic library, in complex with XXLG
Descriptor: Exo-xyloglucanase, GLYCEROL, SULFATE ION, ...
Authors:Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Biochemistry, 54, 2015
8BEM
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BU of 8bem by Molmil
STE20-like serine/threonine-protein kinase (SLK) in complex with Tivozanib
Descriptor: STE20-like serine/threonine-protein kinase, SULFATE ION, TIVOZANIB
Authors:Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-10-21
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:STE20-like serine/threonine-protein kinase (SLK) in complex with Tivozanib
To Be Published
8BB5
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BU of 8bb5 by Molmil
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with Aryl linker
Descriptor: 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ...
Authors:Kraemer, A, Doelle, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-10-12
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023
8B8B
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BU of 8b8b by Molmil
Multimerization domain of Munia virus 1 phosphoprotein
Descriptor: Munia Bornavirus 1 phosphoprotein, NITRATE ION
Authors:Chenavier, F, Tarbouriech, N, Bourhis, J.M, Tomonaga, K, Horie, M, Crepin, T.
Deposit date:2022-10-04
Release date:2022-11-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Borna Disease Virus 1 Phosphoprotein Forms a Tetramer and Interacts with Host Factors Involved in DNA Double-Strand Break Repair and mRNA Processing.
Viruses, 14, 2022
8B8A
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BU of 8b8a by Molmil
Multimerization domain of borna disease virus 1 phosphoprotein
Descriptor: Phosphoprotein
Authors:Tarbouriech, N, Legrand, P, Bourhis, J.M, Chenavier, F, Freslon, L, Kawasaki, J, Horie, M, Tomonaga, K, Bachiri, K, Coyaud, E, Gonzalez-Dunia, D, Ruigrok, R.W.H, Crepin, T.
Deposit date:2022-10-04
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Borna Disease Virus 1 Phosphoprotein Forms a Tetramer and Interacts with Host Factors Involved in DNA Double-Strand Break Repair and mRNA Processing.
Viruses, 14, 2022
8BGC
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BU of 8bgc by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with compound 2 (AA-CS-9-003)
Descriptor: 5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION
Authors:Kraemer, A, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-10-27
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of a Potent and Selective Naphthyridine-Based Chemical Probe for Casein Kinase 2.
Acs Med.Chem.Lett., 14, 2023
5D29
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BU of 5d29 by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU241
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{S})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid, ...
Authors:Barinka, C, Novakova, Z, Pavlicek, J.
Deposit date:2015-08-05
Release date:2016-04-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity.
J.Med.Chem., 59, 2016
8BCJ
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BU of 8bcj by Molmil
Crystal structure of short-chain dehydrogenase PA3128 from Pseudomonas aeruginosa PAO1 in complex with NADP+
Descriptor: IMIDAZOLE, L(+)-TARTARIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Popp, M.A, Vit, A, Blankenfeldt, W.
Deposit date:2022-10-16
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:The structure of short-chain dehydrogenase PA3128 from Pseudomonas aeruginosa PAO1
To Be Published
6TOY
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BU of 6toy by Molmil
Crystal structure of Bacillus paralicheniformis wild-type alpha-amylase
Descriptor: ACETIC ACID, Amylase, CALCIUM ION, ...
Authors:Rozeboom, H.J, Janssen, D.B.
Deposit date:2019-12-12
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Characterization of the starch surface binding site on Bacillus paralicheniformis alpha-amylase.
Int.J.Biol.Macromol., 165, 2020

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