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1ML1
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BU of 1ml1 by Molmil
PROTEIN ENGINEERING WITH MONOMERIC TRIOSEPHOSPHATE ISOMERASE: THE MODELLING AND STRUCTURE VERIFICATION OF A SEVEN RESIDUE LOOP
Descriptor: 2-PHOSPHOGLYCOLIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Thanki, N, Zeelen, J.P, Mathieu, M, Jaenicke, R, Abagyan, R.A, Wierenga, R, Schliebs, W.
Deposit date:1996-09-27
Release date:1997-03-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Protein engineering with monomeric triosephosphate isomerase (monoTIM): the modelling and structure verification of a seven-residue loop.
Protein Eng., 10, 1997
5VR2
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BU of 5vr2 by Molmil
mouse myocilin leucine zipper C-terminal 7 heptad repeat
Descriptor: Myocilin
Authors:Lieberman, R.L, Hill, S.E.
Deposit date:2017-05-10
Release date:2017-11-08
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.922 Å)
Cite:Structure and Misfolding of the Flexible Tripartite Coiled-Coil Domain of Glaucoma-Associated Myocilin.
Structure, 25, 2017
6KKK
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BU of 6kkk by Molmil
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward open conformation (H115A mutant)
Descriptor: Sugar efflux transporter, nonyl beta-D-glucopyranoside
Authors:Xiao, Q.J, Deng, D.
Deposit date:2019-07-26
Release date:2020-07-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021
1MBB
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BU of 1mbb by Molmil
OXIDOREDUCTASE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYLGLUCOSAMINE REDUCTASE, URIDINE-DIPHOSPHATE-3(N-ACETYLGLUCOSAMINYL)BUTYRIC ACID
Authors:Benson, T.E, Lees, W.J, Walsh, C.T, Hogle, J.M.
Deposit date:1995-11-07
Release date:1996-10-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:(E)-enolbutyryl-UDP-N-acetylglucosamine as a mechanistic probe of UDP-N-acetylenolpyruvylglucosamine reductase (MurB).
Biochemistry, 35, 1996
7LVJ
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BU of 7lvj by Molmil
CASP8 isoform G DED domain
Descriptor: Isoform 9 of Caspase-8
Authors:Weichert, K, Lu, F, Kodandapani, L, Sauder, J.M.
Deposit date:2021-02-25
Release date:2022-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Caspase-8 Variant G Regulates Rheumatoid Arthritis Fibroblast-Like Synoviocyte Aggressive Behavior.
ACR Open Rheumatol, 4, 2022
1MBT
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BU of 1mbt by Molmil
OXIDOREDUCTASE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYLGLUCOSAMINE REDUCTASE
Authors:Benson, T.E, Walsh, C.T, Hogle, J.M.
Deposit date:1995-11-28
Release date:1996-10-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of the substrate-free form of MurB, an essential enzyme for the synthesis of bacterial cell walls.
Structure, 4, 1996
5VRE
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BU of 5vre by Molmil
Crystal structure of a lysosomal potassium-selective channel TMEM175 homolog from Chamaesiphon Minutus
Descriptor: Putative integral membrane protein
Authors:Lee, C, Guo, J, Jiang, Y.
Deposit date:2017-05-10
Release date:2017-07-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.299 Å)
Cite:The lysosomal potassium channel TMEM175 adopts a novel tetrameric architecture.
Nature, 547, 2017
7LVX
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BU of 7lvx by Molmil
The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.55 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-02-26
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.55 Angstrom resolution.
To be Published
5VKQ
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BU of 5vkq by Molmil
Structure of a mechanotransduction ion channel Drosophila NOMPC in nanodisc
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, No mechanoreceptor potential C isoform L
Authors:Jin, P, Bulkley, D, Guo, Y, Zhang, W, Guo, Z, Huynh, W, Wu, S, Meltzer, S, Chen, T, Jan, L.Y, Jan, Y.-N, Cheng, Y.
Deposit date:2017-04-22
Release date:2017-06-28
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Electron cryo-microscopy structure of the mechanotransduction channel NOMPC.
Nature, 547, 2017
5VMD
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BU of 5vmd by Molmil
Crystal structure of UBR-box from UBR6 in a domain-swapping conformation
Descriptor: 1,2-ETHANEDIOL, F-box only protein 11, ZINC ION
Authors:Munoz-Escobar, J, Kozlov, G, Gehring, K.
Deposit date:2017-04-27
Release date:2017-07-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Crystal structure of the UBR-box from UBR6/FBXO11 reveals domain swapping mediated by zinc binding.
Protein Sci., 26, 2017
4FJ8
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BU of 4fj8 by Molmil
RB69 DNA polymerase ternary complex with dCTP/dT
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
Authors:Xia, S, Wang, J, Konigsberg, W.H.
Deposit date:2012-06-11
Release date:2012-12-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:DNA mismatch synthesis complexes provide insights into base selectivity of a B family DNA polymerase.
J.Am.Chem.Soc., 135, 2013
7LY8
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BU of 7ly8 by Molmil
The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the enzyme alpha-site, a single F6F molecule at the enzyme beta-site, and sodium ion at the metal coordination site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
Descriptor: 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, CHLORIDE ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-03-06
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the enzyme alpha-site, a single F6F molecule at the enzyme beta-site, and sodium ion at the metal coordination site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
7LWR
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BU of 7lwr by Molmil
Structural and Biochemical Insight into Assembly of Molecular Motors Involved in Viral DNA Packaging
Descriptor: Terminase, small subunit
Authors:Ortega, M.E.
Deposit date:2021-03-01
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and Biochemical Insight into Assembly of Molecular Motors Involved in Viral DNA Packaging
To Be Published
4FJ7
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BU of 4fj7 by Molmil
RB69 DNA polymerase ternary complex with dGTP/dT
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
Authors:Xia, S, Wang, J, Konigsberg, W.H.
Deposit date:2012-06-11
Release date:2012-12-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:DNA mismatch synthesis complexes provide insights into base selectivity of a B family DNA polymerase.
J.Am.Chem.Soc., 135, 2013
5VO6
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BU of 5vo6 by Molmil
CRYSTAL STRUCTURE OF JAK3 KINASE DOMAIN IN COMPLEX WITH A PYRROLOPYRIDAZINE INHIBITOR
Descriptor: 4-{[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3
Authors:Sack, J.S.
Deposit date:2017-05-02
Release date:2017-05-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of potent and efficacious pyrrolopyridazines as dual JAK1/3 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5VT1
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BU of 5vt1 by Molmil
Crystal Structure of the Human CAMKK2B bound to a thiadiazinone benzamide inhibitor
Descriptor: 4-({5-[(3-hydroxy-4-methylphenyl)amino]-4-oxo-4H-1,2,6-thiadiazin-3-yl}amino)benzamide, Calcium/calmodulin-dependent protein kinase kinase 2, MAGNESIUM ION
Authors:Counago, R.M, Asquith, C.R.M, Arruda, P, Edwards, A.M, Gileadi, O, Kalogirou, A.S, Koutentis, P.A, Structural Genomics Consortium (SGC)
Deposit date:2017-05-15
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1,2,6-Thiadiazinones as Novel Narrow Spectrum Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CaMKK2) Inhibitors.
Molecules, 23, 2018
4FK4
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BU of 4fk4 by Molmil
RB69 DNA polymerase ternary complex with dGTP/dG
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
Authors:Xia, S, Wang, J, Konigsberg, W.H.
Deposit date:2012-06-12
Release date:2012-12-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:DNA mismatch synthesis complexes provide insights into base selectivity of a B family DNA polymerase.
J.Am.Chem.Soc., 135, 2013
5VTH
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BU of 5vth by Molmil
CTX-M-14 P167S:E166A mutant
Descriptor: Beta-lactamase
Authors:Hu, L, Patel, M, Sankaran, B, Prasad, B.V.V, Palzkill, T.
Deposit date:2017-05-17
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
8DN7
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BU of 8dn7 by Molmil
The crystal structure of the Pisum sativum Toc75 POTRA domains in complex with fab ax9
Descriptor: Protein TOC75, chloroplastic, fabax9 Heavy Chain, ...
Authors:Srinivasan, K, Noinaj, N.
Deposit date:2022-07-10
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of synthetic antigen binding fragments targeting Toc75 for the isolation of TOC in A. thaliana and P. sativum.
Structure, 31, 2023
5VTT
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BU of 5vtt by Molmil
Dehaloperoxidase B Y38F mutant
Descriptor: Dehaloperoxidase B, GLYCEROL, OXYGEN MOLECULE, ...
Authors:Carey, L.M, Ghiladi, R.A.
Deposit date:2017-05-18
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Probing the Structure-Function Relationship of a Multifunctional Enzyme using Crystallographic Diffraction Methods
Thesis, North Carolina State University, 2017
8DN6
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BU of 8dn6 by Molmil
The crystal structure of the Arabidopsis thaliana Toc75 POTRA domains in complex with fab tc2
Descriptor: Protein TOC75-3, chloroplastic, fabtc2_HC, ...
Authors:Srinivasan, K, Noinaj, N.
Deposit date:2022-07-10
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Characterization of synthetic antigen binding fragments targeting Toc75 for the isolation of TOC in A. thaliana and P. sativum.
Structure, 31, 2023
1M0F
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BU of 1m0f by Molmil
Structural Studies of Bacteriophage alpha3 Assembly, Cryo-electron microscopy
Descriptor: Capsid Protein F, Major Spike Protein G, Scaffolding Protein B, ...
Authors:Bernal, R.A, Hafenstein, S, Olson, N.H, Bowman, V.D, Chipman, P.R, Baker, T.S, Fane, B.A, Rossmann, M.G.
Deposit date:2002-06-12
Release date:2002-12-25
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (16 Å)
Cite:Structural Studies of Bacteriophage alpha3 Assembly
J.Mol.Biol., 325, 2003
5VR0
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BU of 5vr0 by Molmil
Crystal structure of glucose isomerase from Streptomyces rubiginosus
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Borek, D, Otwinowski, Z.
Deposit date:2017-05-09
Release date:2018-05-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Real-space analysis of radiation-induced specific changes with independent component analysis.
J Synchrotron Radiat, 25, 2018
5VRD
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BU of 5vrd by Molmil
Crystal structure for Methylobacterium extorquens PqqCD (natural fusion)
Descriptor: Bifunctional coenzyme PQQ synthesis protein C/D
Authors:Evans III, R.L, Wilmot, C.M, Esler, M.A.
Deposit date:2017-05-10
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structures for Methylobacterium extorquens PqqC from the CD natural fusion and the C truncation
Not published
5VVI
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BU of 5vvi by Molmil
Crystal Structure of the Ligand Binding Domain of LysR-type Transcriptional Regulator, OccR from Agrobacterium tumefaciens in the Complex with Octopine
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
Authors:Kim, Y, Chhor, G, Jedrzejczak, R, Winans, S.C, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2017-05-19
Release date:2017-06-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal Structure of the Ligand-Binding Domain of a LysR-type Transcriptional Regulator: Transcriptional Activation via a Rotary Switch.
Mol. Microbiol., 2018

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