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1EN6
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BU of 1en6 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE E. COLI MANGANESE SUPEROXIDE DISMUTASE Q146L MUTANT
Descriptor: MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE
Authors:Edwards, R.A, Whittaker, M.M, Baker, E.N, Whittaker, J.W, Jameson, G.B.
Deposit date:2000-03-20
Release date:2001-06-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Outer sphere mutations perturb metal reactivity in manganese superoxide dismutase.
Biochemistry, 40, 2001
2BQZ
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BU of 2bqz by Molmil
Crystal structure of a ternary complex of the human histone methyltransferase Pr-SET7 (also known as SET8)
Descriptor: HISTONE H4, S-ADENOSYL-L-HOMOCYSTEINE, SET8 PROTEIN
Authors:Xiao, B, Jing, C, Kelly, G, Walker, P.A, Muskett, F.W, Frenkiel, T.A, Martin, S.R, Sarma, K, Reinberg, D, Gamblin, S.J, Wilson, J.R.
Deposit date:2005-04-28
Release date:2005-06-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Specificity and Mechanism of the Histone Methyltransferase Pr-Set7
Genes Dev., 19, 2005
1EEF
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BU of 1eef by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH BOUND LIGAND PEPG
Descriptor: 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-1,4-DIONE, PROTEIN (HEAT-LABILE ENTEROTOXIN B CHAIN), alpha-D-galactopyranose
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:2000-01-31
Release date:2000-02-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives.
Acta Crystallogr.,Sect.D, 57, 2001
8HXN
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BU of 8hxn by Molmil
Crystal structure of B2 Sfh-I MBL in complex with 2-amino-5-(4-(but-3-en-1-yloxy)benzyl)thiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid, Beta-lactamase, ETHANOL, ...
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
2BGM
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BU of 2bgm by Molmil
X-Ray structure of ternary-Secoisolariciresinol Dehydrogenase
Descriptor: MATAIRESINOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), RHIZOME SECOISOLARICIRESINOL DEHYDROGENASE
Authors:Youn, B, Moinuddin, S.G, Davin, L.B, Lewis, N.G, Kang, C.
Deposit date:2004-12-23
Release date:2005-01-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Apo-Form and Binary/Ternary Complexes of Podophyllum Secoisolariciresinol Dehydrogenase, an Enzyme Involved in Formation of Health-Protecting and Plant Defense Lignans
J.Biol.Chem., 280, 2005
7ZSD
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BU of 7zsd by Molmil
cryo-EM structure of omicron spike in complex with de novo designed binder, local
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder
Authors:Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
Deposit date:2022-05-06
Release date:2023-03-01
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
5HW1
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BU of 5hw1 by Molmil
Crystal structure of TEM1 beta-lactamase in the presence of 1.2 MPa xenon
Descriptor: Beta-lactamase TEM, XENON
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2016-01-28
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 2018
2BTO
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BU of 2bto by Molmil
Structure of BtubA from Prosthecobacter dejongeii
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, THIOREDOXIN 1, TUBULIN BTUBA
Authors:Schlieper, D, Lowe, J.
Deposit date:2005-06-04
Release date:2005-06-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Bacterial Tubulin Btuba/B: Evidence for Horizontal Gene Transfer.
Proc.Natl.Acad.Sci.USA, 102, 2005
4PJH
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BU of 4pjh by Molmil
Structure of human MR1-Ac-6-FP in complex with human MAIT B-G8 TCR
Descriptor: Beta-2-microglobulin, GLYCEROL, Major histocompatibility complex class I-related gene protein, ...
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2014-05-12
Release date:2014-07-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
2RIC
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BU of 2ric by Molmil
Crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with L-glycero-D-manno-heptopyranosyl-(1-3)-L-glycero-D-manno-heptopyranose
Descriptor: CALCIUM ION, L-glycero-alpha-D-manno-heptopyranose, L-glycero-alpha-D-manno-heptopyranose-(1-3)-L-glycero-alpha-D-manno-heptopyranose, ...
Authors:Wang, H, Head, J, Kosma, P, Sheikh, S, McDonald, B, Smith, K, Cafarella, T, Seaton, B, Crouch, E.
Deposit date:2007-10-10
Release date:2008-01-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recognition of heptoses and the inner core of bacterial lipopolysaccharides by surfactant protein d.
Biochemistry, 47, 2008
2BOZ
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BU of 2boz by Molmil
Photosynthetic Reaction Center Mutant With Gly M203 Replaced With Leu
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, DECANE, ...
Authors:Potter, J.P, Fyfe, P.K, Jones, M.R.
Deposit date:2005-04-15
Release date:2005-05-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Strong Effects of an Individual Water Molecule on the Rate of Light-Driven Charge Separation in the Rhodobacter Sphaeroides Reaction Center.
J.Biol.Chem., 280, 2005
9ASS
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BU of 9ass by Molmil
Crystal Structure of Neutrophil Elastase Inhibited by Eap4 from S. aureus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular Adherence Protein, Neutrophil elastase, ...
Authors:Mishra, N.B, Geisbrecht, B.V.
Deposit date:2024-02-26
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Bifunctional Inhibition of Neutrophil Elastase and Cathepsin-G by Eap4 from S. aureus
To Be Published
1EC6
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BU of 1ec6 by Molmil
CRYSTAL STRUCTURE OF NOVA-2 KH3 K-HOMOLOGY RNA-BINDING DOMAIN BOUND TO 20-MER RNA HAIRPIN
Descriptor: 20-MER RNA HAIRPIN, RNA-BINDING PROTEIN NOVA-2
Authors:Lewis, H.A, Musunuru, K, Jensen, K.B, Edo, C, Chen, H.
Deposit date:2000-01-25
Release date:2000-02-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Sequence-specific RNA binding by a Nova KH domain: implications for paraneoplastic disease and the fragile X syndrome.
Cell(Cambridge,Mass.), 100, 2000
1EDE
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BU of 1ede by Molmil
REFINED X-RAY STRUCTURES OF HALOALKANE DEHALOGENASE AT PH 6.2 AND PH 8.2 AND IMPLICATIONS FOR THE REACTION MECHANISM
Descriptor: HALOALKANE DEHALOGENASE
Authors:Verschueren, K.H.G, Dijkstra, B.W.
Deposit date:1993-05-13
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Refined X-ray structures of haloalkane dehalogenase at pH 6.2 and pH 8.2 and implications for the reaction mechanism.
J.Mol.Biol., 232, 1993
7ALG
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BU of 7alg by Molmil
The RSLex - sulfonato-calix[8]arene complex, P3 form, acetate pH 4.0
Descriptor: Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ...
Authors:Ramberg, K, Engilberge, S, Crowley, P.B.
Deposit date:2020-10-06
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.452 Å)
Cite:Facile Fabrication of Protein-Macrocycle Frameworks.
J.Am.Chem.Soc., 143, 2021
1EN5
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BU of 1en5 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE E. COLI MANGANESE SUPEROXIDE DISMUTASE Y34F MUTANT
Descriptor: MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE
Authors:Edwards, R.A, Whittaker, M.M, Baker, E.N, Whittaker, J.W, Jameson, G.B.
Deposit date:2000-03-20
Release date:2001-06-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Outer sphere mutations perturb metal reactivity in manganese superoxide dismutase.
Biochemistry, 40, 2001
5I5C
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BU of 5i5c by Molmil
X-ray crystal structure of allo-Thr31-ShK
Descriptor: GLYCEROL, Kappa-stichotoxin-She3a, LITHIUM ION, ...
Authors:Dang, B, Kubota, T, Manda, K.l, Shen, R, Bezanilla, F, Roux, B, Kent, S.B.H.
Deposit date:2016-02-15
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Inversion of the Side-Chain Stereochemistry of Indvidual Thr or Ile Residues in a Protein Molecule: Impact on the Folding, Stability, and Structure of the ShK Toxin.
Angew. Chem. Int. Ed. Engl., 56, 2017
1NWS
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BU of 1nws by Molmil
Crystal structure of human cartilage gp39 (HC-gp39) in complex with chitobiose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3 like protein 1
Authors:Fusetti, F, Pijning, T, Kalk, K.H, Dijkstra, B.W.
Deposit date:2003-02-06
Release date:2003-08-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure and carbohydrate-binding properties of the human cartilage glycoprotein-39
J.Biol.Chem., 278, 2003
2RIA
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BU of 2ria by Molmil
Crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with D-glycero-D-manno-heptose
Descriptor: CALCIUM ION, D-glycero-alpha-D-manno-heptopyranose, Pulmonary surfactant-associated protein D
Authors:Wang, H, Head, J, Kosma, P, Sheikh, S, McDonald, B, Smith, K, Cafarella, T, Seaton, B, Crouch, E.
Deposit date:2007-10-10
Release date:2008-01-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recognition of heptoses and the inner core of bacterial lipopolysaccharides by surfactant protein d.
Biochemistry, 47, 2008
1EN4
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BU of 1en4 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE E. COLI MANGANESE SUPEROXIDE DISMUTASE Q146H MUTANT
Descriptor: MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE
Authors:Edwards, R.A, Whittaker, M.M, Baker, E.N, Whittaker, J.W, Jameson, G.B.
Deposit date:2000-03-20
Release date:2001-06-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Outer sphere mutations perturb metal reactivity in manganese superoxide dismutase.
Biochemistry, 40, 2001
1EBF
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BU of 1ebf by Molmil
HOMOSERINE DEHYDROGENASE FROM S. CEREVISIAE COMPLEX WITH NAD+
Descriptor: HOMOSERINE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION
Authors:DeLaBarre, B, Thompson, P.R, Wright, G.D, Berghuis, A.M.
Deposit date:2000-01-24
Release date:2000-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of homoserine dehydrogenase suggest a novel catalytic mechanism for oxidoreductases.
Nat.Struct.Biol., 7, 2000
5O0N
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BU of 5o0n by Molmil
Deglycosylated Nogo Receptor with native disulfide structure 4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Reticulon-4 receptor, ...
Authors:Pronker, M.F, Tas, R.P, Vlieg, H.C, Janssen, B.J.C.
Deposit date:2017-05-16
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Nogo Receptor crystal structures with a native disulfide pattern suggest a novel mode of self-interaction.
Acta Crystallogr D Struct Biol, 73, 2017
2C68
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BU of 2c68 by Molmil
Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor
Descriptor: (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE, CELL DIVISION PROTEIN KINASE 2
Authors:Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
Deposit date:2005-11-08
Release date:2005-12-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar.
Bioorg.Med.Chem.Lett., 16, 2006
1NLM
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BU of 1nlm by Molmil
CRYSTAL STRUCTURE OF MURG:GLCNAC COMPLEX
Descriptor: GLYCEROL, UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Hu, Y, Chen, L, Ha, S, Gross, B, Falcone, B, Walker, D, Mokhtarzadeh, M, Walker, S.
Deposit date:2003-01-07
Release date:2003-02-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of MurG:UDP-GlcNAc complex reveals common structural principles of a superfamily of glycosyltransferases
Proc.Natl.Acad.Sci.USA, 100, 2003
2BYR
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BU of 2byr by Molmil
CRYSTAL STRUCTURE OF ACHBP FROM APLYSIA CALIFORNICA in complex with methyllycaconitine
Descriptor: ACETYLCHOLINE-BINDING PROTEIN, METHYLLYCACONITINE
Authors:Hansen, S.B, Sulzenbacher, G, Huxford, T, Marchot, P, Taylor, P, Bourne, Y.
Deposit date:2005-08-03
Release date:2005-10-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structures of Aplysia Achbp Complexes with Nicotinic Agonists and Antagonists Reveal Distinctive Binding Interfaces and Conformations.
Embo J., 24, 2005

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