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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
3WYD
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BU of 3wyd by Molmil
C-terminal esterase domain of LC-Est1
Descriptor: LC-Est1C
Authors:Okano, H, Hong, X, Angkawidjaja, C, Kanaya, S.
Deposit date:2014-08-26
Release date:2014-11-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural and biochemical characterization of a metagenome-derived esterase with a long N-terminal extension.
Protein Sci., 24, 2015
3X17
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BU of 3x17 by Molmil
Crystal structure of metagenome-derived glycoside hydrolase family 9 endoglucanase
Descriptor: CALCIUM ION, Endoglucanase, ZINC ION
Authors:Okano, H, Angkawidjaja, C, Kanaya, S.
Deposit date:2014-10-30
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure, activity, and stability of metagenome-derived glycoside hydrolase family 9 endoglucanase with an N-terminal Ig-like domain.
Protein Sci., 24, 2015
4GGF
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BU of 4ggf by Molmil
Crystal structure of Mn2+ bound calprotectin
Descriptor: CALCIUM ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Damo, S.M, Fritz, G.
Deposit date:2012-08-06
Release date:2013-02-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular basis for manganese sequestration by calprotectin and roles in the innate immune response to invading bacterial pathogens.
Proc.Natl.Acad.Sci.USA, 110, 2013
3CH2
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BU of 3ch2 by Molmil
Crystal Structure Analysis of SERA5E from plasmodium falciparum
Descriptor: CALCIUM ION, Serine-repeat antigen protein
Authors:Smith, B.J, Malby, R.L, Colman, P.M, Clarke, O.B.
Deposit date:2008-03-07
Release date:2008-03-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insights into the Protease-like Antigen Plasmodium falciparum SERA5 and Its Noncanonical Active-Site Serine
J.Mol.Biol., 392, 2009
3DZO
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BU of 3dzo by Molmil
Crystal structure of a rhoptry kinase from toxoplasma gondii
Descriptor: MAGNESIUM ION, Rhoptry kinase domain
Authors:Wernimont, A.K, Lam, A, Ali, A, Lin, Y.H, Ni, S, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Wilkstrom, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Sibley, D, Hui, R, Qiu, W, Structural Genomics Consortium (SGC)
Deposit date:2008-07-30
Release date:2008-09-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel structural and regulatory features of rhoptry secretory kinases in Toxoplasma gondii.
Embo J., 28, 2009
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
3ACS
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BU of 3acs by Molmil
Crystal Structure of Cellvibrio gilvus Cellobiose Phosphorylase W488F mutant
Descriptor: Cellobiose Phosphorylase, SULFATE ION, beta-D-glucopyranose
Authors:Hidaka, M, Arai, T, Fushinobu, S.
Deposit date:2010-01-08
Release date:2010-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Engineering of cellobiose phosphorylase
To be Published
6C0S
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BU of 6c0s by Molmil
Factor XIA in complex with the inhibitor methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2- (1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl) carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2018-01-02
Release date:2018-03-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Pyridazine and pyridazinone derivatives as potent and selective factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
3W56
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BU of 3w56 by Molmil
Structure of a C2 domain
Descriptor: C2 domain protein
Authors:Traore, D.A.K, Whisstock, J.C.
Deposit date:2013-01-24
Release date:2013-10-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Defining the interaction of perforin with calcium and the phospholipid membrane.
Biochem.J., 456, 2013
4GOB
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BU of 4gob by Molmil
Low pH Crystal Structure of a reconstructed Kaede-type Red Fluorescent Protein, Least Evolved Ancestor (LEA)
Descriptor: Kaede-type Fluorescent Protein
Authors:Kim, H, Grunkemeyer, T.J, Chen, L, Fromme, R, Wachter, R.M.
Deposit date:2012-08-19
Release date:2013-07-31
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Acid-base catalysis and crystal structures of a least evolved ancestral GFP-like protein undergoing green-to-red photoconversion.
Biochemistry, 52, 2013
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
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
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
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:2024-10-09
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
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:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel structural and regulatory features of rhoptry secretory kinases in Toxoplasma gondii.
Embo J., 28, 2009
2ZP7
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BU of 2zp7 by Molmil
Crystal structure of LysN, alpha-aminoadipate aminotransferase (Leucine complex), from Thermus thermophilus HB27
Descriptor: Alpha-aminodipate aminotransferase, LEUCINE, PYRIDOXAL-5'-PHOSPHATE
Authors:Tomita, T, Miyazaki, T, Miyagawa, T, Fushinobu, S, Kuzuyama, T, Nishiyama, M.
Deposit date:2008-06-30
Release date:2009-01-13
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Mechanism for multiple-substrates recognition of alpha-aminoadipate aminotransferase from Thermus thermophilus
Proteins, 2008
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
3AFJ
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BU of 3afj by Molmil
Crystal Structure of Cellvibrio gilvus Cellobiose Phosphorylase triple mutant
Descriptor: Cellobiose Phosphorylase, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Hidaka, M, Ogawa, N, Fushinobu, S.
Deposit date:2010-03-04
Release date:2011-03-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineering of cellobiose phosphorylase
To be Published
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
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:2024-11-20
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
3GJ2
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BU of 3gj2 by Molmil
Photoactivated state of PA-GFP
Descriptor: CHLORIDE ION, Green fluorescent protein
Authors:Henderson, J.N, Gepshtein, R, Heenan, J.R, Kallio, K, Huppert, D, Remington, S.J.
Deposit date:2009-03-07
Release date:2009-03-24
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and mechanism of the photoactivatable green fluorescent protein.
J.Am.Chem.Soc., 131, 2009
3GEI
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BU of 3gei by Molmil
Crystal structure of MnmE from Chlorobium tepidum in complex with GCP
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, tRNA modification GTPase mnmE
Authors:Meyer, S, Wittinghofer, A.
Deposit date:2009-02-25
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Kissing G domains of MnmE monitored by X-ray crystallography and pulse electron paramagnetic resonance spectroscopy
Plos Biol., 7, 2009
2VGR
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BU of 2vgr by Molmil
Structure of the WT-Phycoerythrobilin Synthase PebS from the Cyanophage P-SSM2 in Complex with the bound Substrate Biliverdin IXa
Descriptor: BILIVERDINE IX ALPHA, CYANOBACTERIAL PHYCOERYTHROBILIN
Authors:Dammeyer, T, Hofmann, E, Frankenberg-Dinkel, N.
Deposit date:2007-11-15
Release date:2008-08-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Phycoerythrobilin Synthase (Pebs) of a Marine Virus: Crystal Structures of the Biliverdin Complex and the Substrate-Free Form.
J.Biol.Chem., 283, 2008
2VZM
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BU of 2vzm by Molmil
Crystal structure of the narbomycin-bound PikC D50N mutant
Descriptor: CYTOCHROME P450 MONOOXYGENASE, NARBOMYCIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, S, Sherman, D.H, Podust, L.M.
Deposit date:2008-08-01
Release date:2008-08-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Analysis of Transient and Catalytic Desosamine Binding Pockets in Cytochrome P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 284, 2009

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