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1NAE
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BU of 1nae by Molmil
Structure of CsCBM6-3 from Clostridium stercorarium in complex with xylotriose
Descriptor: CALCIUM ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, putative xylanase
Authors:Boraston, A.B, Notenboom, V, Warren, R.A.J, Kilburn, D.G, Rose, D.R, Davies, G.
Deposit date:2002-11-27
Release date:2003-03-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure and ligand binding of carbohydrate-binding module CsCBM6-3 reveals similarities with fucose-specific lectins and "galactose-binding" domains
J.Mol.Biol., 327, 2003
5ODY
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BU of 5ody by Molmil
Galectin-3C in complex with dithiogalactoside derivative
Descriptor: 5,6-bis(fluoranyl)-3-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one, Galectin-3
Authors:Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
Deposit date:2017-07-07
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.149 Å)
Cite:Systematic Tuning of Fluoro-galectin-3 Interactions Provides Thiodigalactoside Derivatives with Single-Digit nM Affinity and High Selectivity.
J. Med. Chem., 61, 2018
6A1U
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BU of 6a1u by Molmil
Charcot-Leyden crystal protein/Galectin-10 variant E33D
Descriptor: Galectin-10
Authors:Su, J.
Deposit date:2018-06-08
Release date:2018-12-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10
Glycobiology, 29, 2019
5IQN
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BU of 5iqn by Molmil
Crystal structure of the E. coli type 1 pilus subunit FimG (engineered variant with substitution Q134E; N-terminal FimG residues 1-12 truncated) in complex with the donor strand peptide DsF_SRIRIRGYVR
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, Protein FimF, ...
Authors:Giese, C, Eras, J, Kern, A, Scharer, M.A, Capitani, G, Glockshuber, R.
Deposit date:2016-03-11
Release date:2016-07-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1 Å)
Cite:Accelerating the Association of the Most Stable Protein-Ligand Complex by More than Two Orders of Magnitude.
Angew.Chem.Int.Ed.Engl., 55, 2016
6DHO
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BU of 6dho by Molmil
RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.07 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
Deposit date:2018-05-20
Release date:2018-11-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
6A1S
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BU of 6a1s by Molmil
Charcot-Leyden crystal protein/Galectin-10 variant E33A
Descriptor: Galectin-10
Authors:Su, J.
Deposit date:2018-06-08
Release date:2018-12-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10
Glycobiology, 29, 2019
5IER
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BU of 5ier by Molmil
Structure of a computationally designed 17-OHP binder
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9, SODIUM ION, ...
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Sampling and energy evaluation challenges in ligand binding protein design.
Protein Sci., 26, 2017
4P96
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BU of 4p96 by Molmil
FadR, Fatty Acid Responsive Transcription Factor from Vibrio cholerae
Descriptor: Fatty acid metabolism regulator protein
Authors:Shi, W, Kull, F.J.
Deposit date:2014-04-02
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The 40-residue insertion in Vibrio cholerae FadR facilitates binding of an additional fatty acyl-CoA ligand.
Nat Commun, 6, 2015
1X78
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BU of 1x78 by Molmil
CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH WAY-244
Descriptor: Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1, [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE
Authors:Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C.
Deposit date:2004-08-13
Release date:2005-03-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Design of Estrogen Receptor-Beta Selective Ligands
J.Am.Chem.Soc., 126, 2004
5IQO
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BU of 5iqo by Molmil
Crystal structure of the E. coli type 1 pilus subunit FimG (engineered variant with substitutions Q134E and S138E; N-terminal FimG residues 1-12 truncated) in complex with the donor strand peptide DsF_T4R-T6R-D13N
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, PENTAETHYLENE GLYCOL, ...
Authors:Giese, C, Eras, J, Kern, A, Capitani, G, Glockshuber, R.
Deposit date:2016-03-11
Release date:2016-07-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.302 Å)
Cite:Accelerating the Association of the Most Stable Protein-Ligand Complex by More than Two Orders of Magnitude.
Angew.Chem.Int.Ed.Engl., 55, 2016
6A1X
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BU of 6a1x by Molmil
Charcot-Leyden crystal protein/Galectin-10 variant W127A
Descriptor: Galectin-10
Authors:Su, J.
Deposit date:2018-06-08
Release date:2018-12-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10
Glycobiology, 29, 2019
2J80
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BU of 2j80 by Molmil
Structure of Citrate-bound Periplasmic Domain of Sensor Histidine Kinase CitA
Descriptor: CITRATE ANION, GLYCEROL, SENSOR KINASE CITA, ...
Authors:Sevvana, M, Vijayan, V, Zweckstetter, M, Reinelt, S, Madden, D.R, Sheldrick, G.M, Bott, M, Griesinger, C, Becker, S.
Deposit date:2006-10-18
Release date:2007-10-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Ligand-Induced Switch in the Periplasmic Domain of Sensor Histidine Kinase Cita.
J.Mol.Biol., 377, 2008
6DHG
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BU of 6dhg by Molmil
RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.5 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
Deposit date:2018-05-20
Release date:2018-11-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
1Z5S
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BU of 1z5s by Molmil
Crystal structure of a complex between UBC9, SUMO-1, RANGAP1 and NUP358/RANBP2
Descriptor: Ran GTPase-activating protein 1, Ran-binding protein 2, Ubiquitin-conjugating enzyme E2 I, ...
Authors:Reverter, D, Lima, C.D.
Deposit date:2005-03-19
Release date:2005-06-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Insights into E3 ligase activity revealed by a SUMO-RanGAP1-Ubc9-Nup358 complex.
Nature, 435, 2005
8OZZ
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BU of 8ozz by Molmil
PH domain of AKT-like kinase in Trypanosoma cruzi
Descriptor: PH domain of Akt-like kinase in Trypanosoma cruzi
Authors:Stadler, K.A, Ortiz-Joya, L.J, Zangger, K, Gubensaek, N.
Deposit date:2023-05-09
Release date:2024-05-08
Method:SOLUTION NMR
Cite:Structural investigation of Trypanosoma cruzi Akt-like kinase as drug target against Chagas disease.
Sci Rep, 14, 2024
4P9U
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BU of 4p9u by Molmil
FadR, Fatty Acid Responsive Transcription Factor from Vibrio cholerae, in Complex with DNA
Descriptor: DNA (31-MER), Fatty acid metabolism regulator protein
Authors:Kull, F.J, Shi, W.
Deposit date:2014-04-05
Release date:2015-02-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.208 Å)
Cite:The 40-residue insertion in Vibrio cholerae FadR facilitates binding of an additional fatty acyl-CoA ligand.
Nat Commun, 6, 2015
4RUQ
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BU of 4ruq by Molmil
Carp Fishelectin, apo form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fish-egg lectin, ...
Authors:Capaldi, S, Faggion, B, Carrizo, M.E, Destefanis, L, Gonzalez, M.C, Perduca, M, Bovi, M, Galliano, M, Monaco, H.L.
Deposit date:2014-11-21
Release date:2015-04-08
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Three-dimensional structure and ligand-binding site of carp fishelectin (FEL).
Acta Crystallogr.,Sect.D, 71, 2015
5IF6
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BU of 5if6 by Molmil
Structure of a computationally designed 17-OHP binder
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9_1c, SODIUM ION
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Sampling and energy evaluation challenges in ligand binding protein design.
Protein Sci., 26, 2017
6DHE
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BU of 6dhe by Molmil
RT XFEL structure of the dark-stable state of Photosystem II (0F, S1-rich) at 2.05 Angstrom resolution
Descriptor: (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
Deposit date:2018-05-20
Release date:2018-11-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
5BK2
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BU of 5bk2 by Molmil
Crystal structure of maltose binding protein in complex with a peristeric synthetic antibody
Descriptor: CHLORIDE ION, GLYCEROL, Maltose-binding periplasmic protein, ...
Authors:Mukherjee, S, Kossiakoff, A.A.
Deposit date:2017-09-12
Release date:2018-01-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineered synthetic antibodies as probes to quantify the energetic contributions of ligand binding to conformational changes in proteins.
J. Biol. Chem., 293, 2018
5IQM
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BU of 5iqm by Molmil
Crystal structure of the E. coli type 1 pilus subunit FimG (engineered variant with substitution Q134E; N-terminal FimG residues 1-12 truncated) in complex with the donor strand peptide DsF_T4R-T6R-D13N
Descriptor: COBALT (II) ION, Protein FimF, Protein FimG
Authors:Giese, C, Eras, J, Kern, A, Scharer, M.A, Capitani, G, Glockshuber, R.
Deposit date:2016-03-11
Release date:2016-07-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Accelerating the Association of the Most Stable Protein-Ligand Complex by More than Two Orders of Magnitude.
Angew.Chem.Int.Ed.Engl., 55, 2016
6DHP
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BU of 6dhp by Molmil
RT XFEL structure of the three-flash state of Photosystem II (3F, S0-rich) at 2.04 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
Deposit date:2018-05-20
Release date:2018-11-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
2ILM
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BU of 2ilm by Molmil
Factor Inhibiting HIF-1 Alpha D201A Mutant in Complex with FE(II), Alpha-Ketoglutarate and HIF-1 Alpha 35mer
Descriptor: 2-OXOGLUTARIC ACID, BICARBONATE ION, FE (II) ION, ...
Authors:Mcdonough, M.A, Schofield, C.J.
Deposit date:2006-10-03
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evidence that two enzyme-derived histidine ligands are sufficient for iron binding and catalysis by factor inhibiting HIF (FIH).
J.Biol.Chem., 283, 2008
5WB8
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BU of 5wb8 by Molmil
Crystal structure of the epidermal growth factor receptor extracellular region in complex with epigen
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, Epigen, ...
Authors:Bessman, N.J, Freed, D.M, Moore, J.O, Ferguson, K.M, Lemmon, M.A.
Deposit date:2017-06-28
Release date:2017-10-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:EGFR Ligands Differentially Stabilize Receptor Dimers to Specify Signaling Kinetics.
Cell, 171, 2017
6UJP
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BU of 6ujp by Molmil
P-glycoprotein mutant-F979A and C952A-with BDE100
Descriptor: 2,4-dibromophenyl 2,4,6-tribromophenyl ether, ATP-dependent translocase ABCB1
Authors:Aller, S.G, Le, C.A.
Deposit date:2019-10-03
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.98 Å)
Cite:Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein.
Iucrj, 7, 2020

238582

数据于2025-07-09公开中

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