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5YFD
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BU of 5yfd by Molmil
Crystal structure of a new DPP III family member
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, Dipeptidyl peptidase 3, ...
Authors:Xu, T, Liu, J.
Deposit date:2017-09-20
Release date:2018-01-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structures of Aflatoxin-oxidase from Armillariella tabescens reveal a dual activity enzyme.
Biochem. Biophys. Res. Commun., 494, 2017
5YIO
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BU of 5yio by Molmil
NMR solution structure of subunit epsilon of the Mycobacterium tuberculosis F-ATP synthase
Descriptor: ATP synthase epsilon chain
Authors:Shin, J, Ragunathan, P, Sundararaman, L, Nartey, W, Manimekalai, M.S.S, Bogdanovic, N, Gruber, G.
Deposit date:2017-10-06
Release date:2018-10-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The NMR solution structure of Mycobacterium tuberculosis F-ATP synthase subunit epsilon provides new insight into energy coupling inside the rotary engine.
FEBS J., 285, 2018
8IQ7
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BU of 8iq7 by Molmil
Ambient Temperature Crystal Structure of Candida boidinii Formate Dehydrogenase
Descriptor: Formate dehydrogenase
Authors:Gul, M, DeMirci, H.
Deposit date:2023-03-16
Release date:2023-03-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of wild-type and Val120Thr mutant Candida boidinii formate dehydrogenase by X-ray crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
8IVJ
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BU of 8ivj by Molmil
Candida boidinii Formate Dehydrogenase V120T Mutant
Descriptor: Formate dehydrogenase
Authors:Gul, M, Yuksel, B, Bulut, H, DeMirci, H.
Deposit date:2023-03-28
Release date:2023-05-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of wild-type and Val120Thr mutant Candida boidinii formate dehydrogenase by X-ray crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
4XJB
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BU of 4xjb by Molmil
X-ray structure of Lysozyme1
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
8JD9
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BU of 8jd9 by Molmil
Cyro-EM structure of the Na+/H+ antipoter SOS1 from Arabidopsis thaliana,class1
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Sodium/hydrogen exchanger 7
Authors:Yang, G.H, Zhang, Y.M, Zhou, J.Q, Jia, Y.T, Xu, X, Fu, P, Wu, H.Y.
Deposit date:2023-05-13
Release date:2023-11-08
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Structural basis for the activity regulation of Salt Overly Sensitive 1 in Arabidopsis salt tolerance.
Nat.Plants, 9, 2023
4XJG
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BU of 4xjg by Molmil
X-ray structure of Lysozyme B2
Descriptor: BROMIDE ION, Lysozyme C, SODIUM ION
Authors:Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
8JDA
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BU of 8jda by Molmil
Cyro-EM structure of the Na+/H+ antipoter SOS1 from Arabidopsis thaliana,class2
Descriptor: Sodium/hydrogen exchanger 7
Authors:Yang, G.H, Zhang, Y.M, Zhou, J.Q, Jia, Y.T, Xu, X, Fu, P, Wu, H.Y.
Deposit date:2023-05-13
Release date:2023-11-08
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structural basis for the activity regulation of Salt Overly Sensitive 1 in Arabidopsis salt tolerance.
Nat.Plants, 9, 2023
4XJI
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BU of 4xji by Molmil
X-ray structure of LysozymeS2
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
4XJD
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BU of 4xjd by Molmil
X-ray structure of Lysozyme2
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
4XJH
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BU of 4xjh by Molmil
X-ray structure of LysozymeS1
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
4XNJ
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BU of 4xnj by Molmil
X-ray structure of PepTst2
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Di-or tripeptide:H+ symporter, PHOSPHATE ION
Authors:Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-15
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
1NXY
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BU of 1nxy by Molmil
Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (SM2)
Descriptor: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase TEM, POTASSIUM ION
Authors:Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K.
Deposit date:2003-02-11
Release date:2003-08-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Recognition and Resistance in TEM beta-lactamase
Biochemistry, 42, 2003
4XJF
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BU of 4xjf by Molmil
X-ray structure of Lysozyme B1
Descriptor: BROMIDE ION, Lysozyme C, SODIUM ION
Authors:Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
2C2T
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BU of 2c2t by Molmil
Human Dihydrofolate Reductase Complexed With NADPH and 2,4-Diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine, a novel boron containing, nonclassical Antifolate
Descriptor: (S)-2,4-DIAMINO-5-((7,8-DICARBAUNDECABORAN-7-YL)METHYL)-6-METHYLPYRIMIDINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ...
Authors:leung, A.K.W, reynolds, R.C, riordan, J.M, borhani, D.W.
Deposit date:2005-09-30
Release date:2007-04-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Novel Boron-Containing, Nonclassical Antifolates: Synthesis and Preliminary Biological and Structural Evaluation.
J.Med.Chem., 50, 2007
1NYM
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BU of 1nym by Molmil
Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (CXB)
Descriptor: Beta-lactamase TEM, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K.
Deposit date:2003-02-12
Release date:2003-08-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Recognition and resistance in TEM beta-lactamase
Biochemistry, 42, 2003
4XNL
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BU of 4xnl by Molmil
X-ray structure of AlgE2
Descriptor: (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ...
Authors:Ma, P, Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-15
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
4XNI
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BU of 4xni by Molmil
X-ray structure of PepTst1
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Di-or tripeptide:H+ symporter, PHOSPHATE ION
Authors:Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-15
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
4XNK
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BU of 4xnk by Molmil
X-ray structure of AlgE1
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Alginate production protein AlgE, ...
Authors:Ma, P, Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-15
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
8OJM
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BU of 8ojm by Molmil
Galectin-3 in complex with 2,6-anhydro-3-deoxy-3-S-(beta-D-galactopyranosyl)-3-thio-D-glycero-D-galacto-heptonamide
Descriptor: (2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-carboxamide, 1-thio-beta-D-galactopyranose, Galectin-3, ...
Authors:Tsagkarakou, A.S, Leonidas, D.D.
Deposit date:2023-03-24
Release date:2023-09-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023
8OJI
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BU of 8oji by Molmil
Galectin-3 in complex with Methyl 2,6-anhydro-3-deoxy-3-S-(b-D-galactopyranosyl)-3-thio-D-glycero-L-altro-heptonate
Descriptor: 1-thio-beta-D-galactopyranose, CHLORIDE ION, Galectin-3, ...
Authors:Tsagkarakou, A.S, Leonidas, D.D.
Deposit date:2023-03-24
Release date:2023-09-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023
8OL9
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BU of 8ol9 by Molmil
Anti-FIXa Fab in complex with human des-(Gla-EGF1) FIXa
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Coagulation factor IX heavy chain, ...
Authors:Johansson, E, Svensson, L.A.
Deposit date:2023-03-30
Release date:2023-07-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Computational design of N-linked glycans for high throughput epitope profiling.
Protein Sci., 32, 2023
4WN1
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BU of 4wn1 by Molmil
Crystal structure of PDE10A in complex with 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one
Descriptor: 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Amano, Y, Honbou, K.
Deposit date:2014-10-10
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Synthesis, SAR study, and biological evaluation of novel quinoline derivatives as phosphodiesterase 10A inhibitors with reduced CYP3A4 inhibition.
Bioorg.Med.Chem., 23, 2015
8ONU
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BU of 8onu by Molmil
Solution structure of thanatin analogue 7 in complex with LptAm(Ab)1.0
Descriptor: Lipopolysaccharide export system protein LptA, Thanatin-like derivative
Authors:Oi, K.K, Moehle, K, Zerbe, O.
Deposit date:2023-04-04
Release date:2023-06-14
Last modified:2023-11-29
Method:SOLUTION NMR
Cite:Early Molecular Insights into Thanatin Analogues Binding to A. baumannii LptA.
Molecules, 28, 2023
8OJK
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BU of 8ojk by Molmil
Galectin-3 in complex with 2,6-anhydro-3-deoxy-3-S-(beta-D-galactopyranosyl)-3-thio-D-glycero-L-altro-heptonamide
Descriptor: (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide, 1-thio-beta-D-galactopyranose, Galectin-3, ...
Authors:Tsagkarakou, A.S, Leonidas, D.D.
Deposit date:2023-03-24
Release date:2023-09-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023

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