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2XU2
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BU of 2xu2 by Molmil
Crystal Structure of the hypothetical protein PA4511 from Pseudomonas aeruginosa
Descriptor: CITRIC ACID, UPF0271 PROTEIN PA4511
Authors:Oke, M, Carter, L.G, Johnson, K.A, Liu, H, McMahon, S.A, White, M.F, Naismith, J.H.
Deposit date:2010-10-14
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
2Z6D
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BU of 2z6d by Molmil
Crystal structure of LOV1 domain of phototropin2 from Arabidopsis thaliana
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Nakasako, M, Matsuoka, D, Tokutomi, S.
Deposit date:2007-07-29
Release date:2008-07-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of the LOV1 dimerization of Arabidopsis phototropins 1 and 2
J.Mol.Biol., 381, 2008
3ACT
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BU of 3act by Molmil
Crystal Structure of Cellvibrio gilvus Cellobiose Phosphorylase Histidine mutant
Descriptor: Cellobiose Phosphorylase, GLYCEROL, PHOSPHATE ION, ...
Authors:Hidaka, M, Hayashi, M.A, Fushinobu, S.
Deposit date:2010-01-08
Release date:2010-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Engineering of cellobiose phosphorylase
To be Published
3BZF
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BU of 3bzf by Molmil
The human non-classical major histocompatibility complex molecule HLA-E
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ...
Authors:Hoare, H.L, Sullivan, L.C, Ely, L.K, Beddoe, T, Henderson, K.N, Lin, J, Clements, C.S, Reid, H.H, Brooks, A.G, Rossjohn, J.
Deposit date:2008-01-17
Release date:2008-04-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Subtle changes in peptide conformation profoundly affect recognition of the non-classical MHC class I molecule HLA-E by the CD94-NKG2 natural killer cell receptors
J.Mol.Biol., 377, 2008
3BSD
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BU of 3bsd by Molmil
Light harvesting protein from RC of Chlorobium tepidum
Descriptor: BACTERIOCHLOROPHYLL A, Bacteriochlorophyll a protein, MAGNESIUM ION
Authors:Nelson, N, Frolow, F, Brn-Shem, A.
Deposit date:2007-12-23
Release date:2008-01-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evolution of photosystem I - from symmetry through pseudo-symmetry to asymmetry.
Febs Lett., 564, 2004
3BYV
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BU of 3byv by Molmil
Crystal structure of Toxoplasma gondii specific rhoptry antigen kinase domain
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Rhoptry kinase
Authors:Wernimont, A.K, Lunin, V.V, Yang, C, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Sibley, D, Qiu, W, Structural Genomics Consortium (SGC)
Deposit date:2008-01-16
Release date:2008-01-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel structural and regulatory features of rhoptry secretory kinases in Toxoplasma gondii.
Embo J., 28, 2009
3CBF
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BU of 3cbf by Molmil
Crystal structure of LysN, alpha-aminoadipate aminotransferase, from Thermus thermophilus HB27
Descriptor: (2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]hexanedioic acid, Alpha-aminodipate aminotransferase
Authors:Tomita, T, Miyazaki, T, Miyagawa, T, Fushinobu, S, Kuzuyama, T, Nishiyama, M.
Deposit date:2008-02-21
Release date:2009-01-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Mechanism for multiple-substrates recognition of alpha-aminoadipate aminotransferase from Thermus thermophilus
Proteins, 2008
4IAE
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BU of 4iae by Molmil
Crystal structure of BAY 60-2770 bound to nostoc H-NOX domain
Descriptor: 4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid, Alr2278 protein, MALONATE ION
Authors:Kumar, V, van den Akker, F, Martin, F.
Deposit date:2012-12-06
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Insights into BAY 60-2770 Activation and S-Nitrosylation-Dependent Desensitization of Soluble Guanylyl Cyclase via Crystal Structures of Homologous Nostoc H-NOX Domain Complexes.
Biochemistry, 52, 2013
4IAM
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BU of 4iam by Molmil
Crystal Structure of the C139A mutant of nostoc H-NOX domain
Descriptor: Alr2278 protein, MALONATE ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kumar, V, van den Akker, F.
Deposit date:2012-12-06
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Insights into BAY 60-2770 Activation and S-Nitrosylation-Dependent Desensitization of Soluble Guanylyl Cyclase via Crystal Structures of Homologous Nostoc H-NOX Domain Complexes.
Biochemistry, 52, 2013
4JB0
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BU of 4jb0 by Molmil
Rhodopseudomonas palustris (strain CGA009) Rp1789 transport protein
Descriptor: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, GLYCEROL, ...
Authors:Salmon, R.
Deposit date:2013-02-19
Release date:2013-04-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:The CouPSTU and TarPQM Transporters in Rhodopseudomonas palustris: Redundant, Promiscuous Uptake Systems for Lignin-Derived Aromatic Substrates.
Plos One, 8, 2013
4JB2
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BU of 4jb2 by Molmil
Rhodopseudomonas palustris (strain CGA009) Rp1789
Descriptor: Branched-chain amino acid transport system substrate-binding protein, GLYCEROL
Authors:Salmon, R.
Deposit date:2013-02-19
Release date:2013-04-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The CouPSTU and TarPQM Transporters in Rhodopseudomonas palustris: Redundant, Promiscuous Uptake Systems for Lignin-Derived Aromatic Substrates.
Plos One, 8, 2013
2V1V
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BU of 2v1v by Molmil
3D STRUCTURE OF THE M8L MUTANT OF SQUASH TRYPSIN INHIBITOR CMTI-I
Descriptor: TRYPSIN INHIBITOR 1
Authors:Sledz, P, Bolewska, K, Bierzynski, A, Zhukov, I.
Deposit date:2007-05-30
Release date:2007-06-19
Last modified:2019-10-09
Method:SOLUTION NMR
Cite:Conservative mutation Met8 --> Leu affects the folding process and structural stability of squash trypsin inhibitor CMTI-I.
Protein Sci., 9, 2000
4JIB
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BU of 4jib by Molmil
Crystal structure of of PDE2-inhibitor complex
Descriptor: 1-(2-hydroxyethyl)-3-(2-methylbutan-2-yl)-5-[4-(2-methyl-1H-imidazol-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Pandit, J.
Deposit date:2013-03-05
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of potent, selective, bioavailable phosphodiesterase 2 (PDE2) inhibitors active in an osteoarthritis pain model, Part I: Transformation of selective pyrazolodiazepinone phosphodiesterase 4 (PDE4) inhibitors into selective PDE2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4KRZ
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BU of 4krz by Molmil
Apo crystal structure of pyruvate kinase (PYK) from Trypanosoma cruzi
Descriptor: GLYCEROL, POTASSIUM ION, Pyruvate kinase
Authors:Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2013-05-17
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of pyruvate kinases display evolutionarily divergent allosteric strategies.
R Soc Open Sci, 1, 2014
4KS0
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BU of 4ks0 by Molmil
Pyruvate kinase (PYK) from Trypanosoma cruzi in the presence of Magnesium, oxalate and F26BP
Descriptor: 2,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ...
Authors:Morgan, H.P, Zhong, W, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2013-05-17
Release date:2014-11-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of pyruvate kinases display evolutionarily divergent allosteric strategies.
R Soc Open Sci, 1, 2014
4HU2
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BU of 4hu2 by Molmil
Crystal structure of LdtMt2, a L,D-transpeptidase from Mycobacterium tuberculosis: domain A and B
Descriptor: PROBABLE CONSERVED LIPOPROTEIN LPPS, SULFATE ION
Authors:Both, D, Steiner, E, Lindqvist, Y, Schnell, R, Schneider, G.
Deposit date:2012-11-02
Release date:2012-12-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure of LdtMt2, an L,D-transpeptidase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 69, 2013
4HUC
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BU of 4huc by Molmil
Crystal structure of LdtMt2, a L,D-transpeptidase from Mycobacterium tuberculosis: domain B and C
Descriptor: ACETATE ION, PROBABLE CONSERVED LIPOPROTEIN LPPS, SODIUM ION
Authors:Both, D, Steiner, E, Lindqvist, Y, Schnell, R, Schneider, G.
Deposit date:2012-11-02
Release date:2012-12-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure of LdtMt2, an L,D-transpeptidase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 69, 2013
4L7T
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BU of 4l7t by Molmil
B. fragilis NanU
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, NanU sialic acid binding protein, ...
Authors:Rafferty, J.B, Phansopa, C, Stafford, G.P.
Deposit date:2013-06-14
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural and functional characterization of NanU, a novel high-affinity sialic acid-inducible binding protein of oral and gut-dwelling Bacteroidetes species.
Biochem.J., 458, 2014
2QCF
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BU of 2qcf by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain (Asp312Asn mutant) of human UMP synthase bound to 5-fluoro-UMP
Descriptor: 5-FLUORO-URIDINE-5'-MONOPHOSPHATE, GLYCEROL, Uridine 5'-monophosphate synthase (UMP synthase)
Authors:Wittmann, J, Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCE
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BU of 2qce by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain of human UMP synthase bound to sulfate, glycerol, and chloride
Descriptor: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
Authors:Wittmann, J, Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
3GEH
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BU of 3geh by Molmil
Crystal structure of MnmE from Nostoc in complex with GDP, FOLINIC ACID and ZN
Descriptor: GUANOSINE-5'-DIPHOSPHATE, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, ZINC ION, ...
Authors:Meyer, S, Wittinghofer, A.
Deposit date:2009-02-25
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Kissing G domains of MnmE monitored by X-ray crystallography and pulse electron paramagnetic resonance spectroscopy
Plos Biol., 7, 2009
5U2F
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BU of 5u2f by Molmil
BRD4 first bromodomain (BD1) in complex with dual PI3 kinase (PI3K) inhibitor SF2558HA
Descriptor: Bromodomain-containing protein 4, N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide
Authors:Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.525 Å)
Cite:Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3BZE
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BU of 3bze by Molmil
The human non-classical major histocompatibility complex molecule HLA-E
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ...
Authors:Hoare, H.L, Sullivan, L.C, Ely, L.K, Beddoe, T, Henderson, K.N, Lin, J, Clements, C.S, Reid, H.H, Brooks, A.G, Rossjohn, J.
Deposit date:2008-01-17
Release date:2008-04-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Subtle changes in peptide conformation profoundly affect recognition of the non-classical MHC class I molecule HLA-E by the CD94-NKG2 natural killer cell receptors
J.Mol.Biol., 377, 2008
8W0Q
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BU of 8w0q by Molmil
Pembrolizumab CDR-H3 Loop Mimic
Descriptor: Pembrolizumab CDR-H3 Loop Mimic
Authors:Feig, M, Roche, S.P.
Deposit date:2024-02-14
Release date:2024-07-03
Last modified:2024-07-31
Method:SOLUTION NMR
Cite:De Novo Synthesis and Structural Elucidation of CDR-H3 Loop Mimics.
Acs Chem.Biol., 19, 2024
5U2E
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BU of 5u2e by Molmil
BRD4 first bromodomain (BD1) in complex with dual PI3 kinase (PI3K) inhibitor SF2535
Descriptor: Bromodomain-containing protein 4, ethyl 4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzoate
Authors:Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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