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6E8V
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BU of 6e8v by Molmil
The crystal structure of bovine ultralong antibody BOV-1
Descriptor: Bovine ultralong antibody BOV-1 Heavy chain, Bovine ultralong antibody BOV-1 light chain
Authors:Dong, J, Crowe, J.E.
Deposit date:2018-07-31
Release date:2019-09-04
Last modified:2020-10-21
Method:X-RAY DIFFRACTION (3.79 Å)
Cite:Structural Diversity of Ultralong CDRH3s in Seven Bovine Antibody Heavy Chains.
Front Immunol, 10, 2019
8P07
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BU of 8p07 by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Descriptor: 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-[[3-(1,2,4-triazol-4-yl)phenyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ...
Authors:Kraemer, A, Ong, H.W, Yang, X, Bown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-05-09
Release date:2023-05-17
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication.
J.Med.Chem., 67, 2024
8BH0
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BU of 8bh0 by Molmil
O-Methyltransferase Plu4890 in complex with SAH and AQ-270b
Descriptor: 3-methoxy-1,8-bis(oxidanyl)anthracene-9,10-dione, CHLORIDE ION, Methyltransferase Plu4890, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-10-28
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BII
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BU of 8bii by Molmil
O-Methyltransferase Plu4895 (mutant H229N) in complex with SAH
Descriptor: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, methyltransferase Plu4895 H229N mutant
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8OM9
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BU of 8om9 by Molmil
MutSbeta bound to (CAG)2 DNA (open form)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
Authors:Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
Deposit date:2023-03-31
Release date:2023-05-24
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:MutSbeta bound to (CAG)2 DNA (open form)
To Be Published
8ONO
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BU of 8ono by Molmil
Modified oligopeptidase B from S. proteamaculans in intermediate conformation with 5 spermine molecule at 1.65 A resolution
Descriptor: Oligopeptidase B, SPERMINE
Authors:Petrenko, D.E, Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Mikhailova, A.G, Timofeev, V.I, Rakitina, T.V.
Deposit date:2023-04-03
Release date:2023-05-31
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Modified oligopeptidase B from S. proteomaculans in intermediate conformation with 5 spermine molecule at 1.65 A resolution
To Be Published
8OLX
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BU of 8olx by Molmil
MutSbeta bound to (CAG)2 DNA (canonical form)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (25-MER), DNA mismatch repair protein Msh2, ...
Authors:Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
Deposit date:2023-03-30
Release date:2023-05-24
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:MutSbeta bound to (CAG)2 DNA (canonical form)
To Be Published
1KRH
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BU of 1krh by Molmil
X-ray Structure of Benzoate Dioxygenase Reductase
Descriptor: Benzoate 1,2-Dioxygenase Reductase, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Karlsson, A, Beharry, Z.M, Eby, D.M, Coulter, E.D, Niedle, E.L, Kurtz Jr, D.M, Eklund, H, Ramaswamy, S.
Deposit date:2002-01-09
Release date:2002-05-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray crystal structure of benzoate 1,2-dioxygenase reductase from Acinetobacter sp. strain ADP1.
J.Mol.Biol., 318, 2002
8OMO
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BU of 8omo by Molmil
DNA-unbound MutSbeta-ATP complex (bent clamp form)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
Authors:Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
Deposit date:2023-03-31
Release date:2023-05-24
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:DNA-unbound MutSbeta-ATP complex (bent clamp form)
To Be Published
8OM5
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BU of 8om5 by Molmil
DNA-free open form of MutSbeta
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
Authors:Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
Deposit date:2023-03-31
Release date:2023-05-24
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:DNA-free open form of MutSbeta
To Be Published
7KEY
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BU of 7key by Molmil
Protein Tyrosine Phosphatase 1B, Apo
Descriptor: ACETATE ION, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Battaile, K.P, Chirgadze, Y, Ruzanov, M, Romanov, V, Lam, K, Gordon, R, Lin, A, Lam, R, Pai, E, Chirgadze, N.
Deposit date:2020-10-13
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:Signal transfer in human protein tyrosine phosphatase PTP1B from allosteric inhibitor P00058.
J.Biomol.Struct.Dyn., 2021
8BIH
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BU of 8bih by Molmil
O-Methyltransferase Plu4890 in complex with SAH and AQ-284b
Descriptor: 3,8-dimethoxy-1-oxidanyl-anthracene-9,10-dione, CHLORIDE ION, GLYCEROL, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8OMA
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BU of 8oma by Molmil
MutSbeta bound to 61bp homoduplex DNA
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
Authors:Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
Deposit date:2023-03-31
Release date:2023-05-24
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:MutSbeta bound to 61bp homoduplex DNA
To Be Published
2Q7A
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BU of 2q7a by Molmil
Crystal structure of the cell surface heme transfer protein Shp
Descriptor: Cell surface heme-binding protein, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Aranda IV, R, Worley, C.E, Bitto, E, Phillips Jr, G.N.
Deposit date:2007-06-06
Release date:2007-09-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bis-methionyl coordination in the crystal structure of the heme-binding domain of the streptococcal cell surface protein Shp.
J.Mol.Biol., 374, 2007
8OMQ
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BU of 8omq by Molmil
DNA-unbound MutSbeta-ATP complex (straight clamp form)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
Authors:Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
Deposit date:2023-03-31
Release date:2023-05-24
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:DNA-unbound MutSbeta-ATP complex (straight clamp form)
To Be Published
1HQ6
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BU of 1hq6 by Molmil
STRUCTURE OF PYRUVOYL-DEPENDENT HISTIDINE DECARBOXYLASE AT PH 8
Descriptor: HISTIDINE DECARBOXYLASE
Authors:Schelp, E, Worley, S, Monzingo, A.F, Ernst, S, Robertus, J.D.
Deposit date:2000-12-14
Release date:2001-03-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:pH-induced structural changes regulate histidine decarboxylase activity in Lactobacillus 30a.
J.Mol.Biol., 306, 2001
2Q4V
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BU of 2q4v by Molmil
Ensemble refinement of the protein crystal structure of thialysine n-acetyltransferase (SSAT2) from Homo sapiens
Descriptor: ACETYL COENZYME *A, Diamine acetyltransferase 2
Authors:Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2007-05-31
Release date:2007-06-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.842 Å)
Cite:Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
7L5C
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BU of 7l5c by Molmil
Structure of copper bound MEMO1
Descriptor: 1,2-ETHANEDIOL, COPPER (I) ION, GLYCEROL, ...
Authors:Boniecki, M.T, Uhlemann, E.E, Dmitriev, O.Y.
Deposit date:2020-12-21
Release date:2022-01-19
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:MEMO1 binds iron and modulates iron homeostasis in cancer cells.
Elife, 13, 2024
8PAJ
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BU of 8paj by Molmil
Crystal Structure of a Squalene-Hopene cyclase from Archangium gephyra
Descriptor: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
Authors:Worthy, H.L, Isupov, M.N, Littlechild, J.A, Mitchell, D.E.
Deposit date:2023-06-08
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure of a mesophilic Squalene-Hopene Cyclases from Cystobacter fuscus and Archangium gephyra
To Be Published
1XKX
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BU of 1xkx by Molmil
Kinetic and crystallographic studies on 2-(beta-D-glucopyranosyl)-5-methyl-1,3,4-oxadiazole,-benzothiazole, and-benzimidazole, inhibitors of muscle glycogen phosphorylase b. Evidence for a new binding site.
Descriptor: 2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1-BENZIMIDAZOLE, Glycogen phosphorylase, muscle form, ...
Authors:Chrysina, E.D, Kosmopoulou, M.N, Tiraidis, C, Kardakaris, R, Bischler, N, Leonidas, D.D, Hadady, Z, Somsak, L, Docsa, T, Gergely, P, Oikonomakos, N.G.
Deposit date:2004-09-30
Release date:2005-03-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Kinetic and crystallographic studies on 2-(beta-D-glucopyranosyl)-5-methyl-1, 3, 4-oxadiazole, -benzothiazole, and -benzimidazole, inhibitors of muscle glycogen phosphorylase b. Evidence for a new binding site
Protein Sci., 14, 2005
3CD3
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BU of 3cd3 by Molmil
Crystal structure of phosphorylated human feline sarcoma viral oncogene homologue (v-FES) in complex with staurosporine and a consensus peptide
Descriptor: CHLORIDE ION, Proto-oncogene tyrosine-protein kinase Fes/Fps, STAUROSPORINE, ...
Authors:Filippakopoulos, P, Salah, E, Cooper, C, Picaud, S.S, Elkins, J.M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-02-26
Release date:2008-03-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural Coupling of SH2-Kinase Domains Links Fes and Abl Substrate Recognition and Kinase Activation
Cell(Cambridge,Mass.), 134, 2008
7KRG
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BU of 7krg by Molmil
Crystal Structure of Mannitol Dehydrogenase (ChMDH) from Cladosporium herbarum in complex with NADP+ and Na
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent mannitol dehydrogenase, SODIUM ION
Authors:Lee, S.G, Jez, J.M.
Deposit date:2020-11-19
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.03797364 Å)
Cite:Biochemical and clinical studies of putative allergens to assess what distinguishes them from other non-allergenic proteins in the same family.
Transgenic Res, 31, 2022
4N0C
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BU of 4n0c by Molmil
42F3 TCR pCPE3/H-2Ld complex
Descriptor: 42F3 VmCh alpha, 42F3 VmCh beta, H-2 class I histocompatibility antigen, ...
Authors:Birnbaum, M.E, Adams, J.J, Garcia, K.C.
Deposit date:2013-10-01
Release date:2015-08-19
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural interplay between germline interactions and adaptive recognition determines the bandwidth of TCR-peptide-MHC cross-reactivity.
Nat. Immunol., 17, 2016
3CBL
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BU of 3cbl by Molmil
Crystal structure of human feline sarcoma viral oncogene homologue (v-FES) in complex with staurosporine and a consensus peptide
Descriptor: Proto-oncogene tyrosine-protein kinase Fes/Fps, STAUROSPORINE, Synthetic peptide
Authors:Filippakopoulos, P, Salah, E, Cooper, C, Picaud, S.S, Elkins, J.M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-02-22
Release date:2008-03-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Coupling of SH2-Kinase Domains Links Fes and Abl Substrate Recognition and Kinase Activation
Cell(Cambridge,Mass.), 134, 2008
1HV1
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BU of 1hv1 by Molmil
DISSECTING ELECTROSTATIC INTERACTIONS AND THE PH-DEPENDENT ACTIVITY OF A FAMILY 11 GLYCOSIDASE
Descriptor: ENDO-1,4-BETA-XYLANASE
Authors:Joshi, M.D, Sidhu, G, Nielsen, J.E, Brayer, G.D, Withers, S.G, McIntosh, L.P.
Deposit date:2001-01-05
Release date:2001-09-14
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dissecting the electrostatic interactions and pH-dependent activity of a family 11 glycosidase.
Biochemistry, 40, 2001

223790

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