4A04
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![BU of 4a04 by Molmil](/molmil-images/mine/4a04) | Structure of the DNA-bound T-box domain of human TBX1, a transcription factor associated with the DiGeorge syndrome | Descriptor: | DNA, T-BOX TRANSCRIPTION FACTOR TBX1 | Authors: | El Omari, K, De Mesmaeker, J, Karia, D, Ginn, H, Bhattacharya, S, Mancini, E.J. | Deposit date: | 2011-09-07 | Release date: | 2011-10-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structure of the DNA-Bound T-Box Domain of Human Tbx1, a Transcription Factor Associated with the Digeorge Syndrome Proteins, 80, 2012
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5NR3
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![BU of 5nr3 by Molmil](/molmil-images/mine/5nr3) | Human DNMT3B PWWP domain in complex with ethambutol | Descriptor: | DNA (cytosine-5)-methyltransferase 3B, Ethambutol, SULFATE ION | Authors: | Rondelet, G, Wouters, J. | Deposit date: | 2017-04-21 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Targeting PWWP domain of DNA methyltransferase 3B for epigenetic cancer therapy: Identification and structural characterization of new potential protein-protein interaction inhibitors To be published
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6GXK
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![BU of 6gxk by Molmil](/molmil-images/mine/6gxk) | Crystal structure of Aldo-Keto Reductase 1C3 (AKR1C3) complexed with inhibitor. | Descriptor: | 1,2-ETHANEDIOL, 4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one, Aldo-keto reductase family 1 member C3, ... | Authors: | Goyal, P, Wahlgren, W.Y, Friemann, R. | Deposit date: | 2018-06-27 | Release date: | 2019-05-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Bioisosteres of Indomethacin as Inhibitors of Aldo-Keto Reductase 1C3. Acs Med.Chem.Lett., 10, 2019
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1QYV
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![BU of 1qyv by Molmil](/molmil-images/mine/1qyv) | |
6ONY
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![BU of 6ony by Molmil](/molmil-images/mine/6ony) | BRD2_Bromodomain1 complex with inhibitor 744 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | Authors: | Longenecker, K.L, Bigelow, L. | Deposit date: | 2019-04-22 | Release date: | 2020-01-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer. Nature, 578, 2020
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6ULM
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![BU of 6ulm by Molmil](/molmil-images/mine/6ulm) | Crystal structure of human cadherin 17 EC1-2 | Descriptor: | CALCIUM ION, Cadherin-17 | Authors: | Gray, M.E, Sotomayor, M. | Deposit date: | 2019-10-08 | Release date: | 2021-03-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of the nonclassical cadherin-17 N-terminus and implications for its adhesive binding mechanism. Acta Crystallogr.,Sect.F, 77, 2021
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2MJK
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1WPD
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![BU of 1wpd by Molmil](/molmil-images/mine/1wpd) | Evidence for domain-specific recognition of SK and Kv channels by MTX and HsTx1 scorpion toxins | Descriptor: | Potassium channel toxin alpha-KTx 6.2,Potassium channel toxin alpha-KTx 6.3 | Authors: | Regaya, I, Beeton, C, Ferrat, G, Andreotti, N, Chandy, G.K, Darbon, H, De Waard, M, Sabatier, J.M. | Deposit date: | 2004-09-01 | Release date: | 2004-10-19 | Last modified: | 2019-12-18 | Method: | SOLUTION NMR | Cite: | Evidence for domain-specific recognition of SK and Kv channels by MTX and HsTx1 scorpion toxins J.Biol.Chem., 279, 2004
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4UJ3
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![BU of 4uj3 by Molmil](/molmil-images/mine/4uj3) | Crystal structure of human Rab11-Rabin8-FIP3 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, RAB-3A-INTERACTING PROTEIN, ... | Authors: | Vetter, M, Lorentzen, E. | Deposit date: | 2015-04-08 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of Rab11-Fip3-Rabin8 Reveals Simultaneous Binding of Fip3 and Rabin8 Effectors to Rab11. Nat.Struct.Mol.Biol., 22, 2015
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2M05
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3NQ8
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![BU of 3nq8 by Molmil](/molmil-images/mine/3nq8) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R4 8/5A | Descriptor: | BENZAMIDINE, NITRATE ION, deoxyribose phosphate aldolase | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2010-06-29 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
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4HRA
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![BU of 4hra by Molmil](/molmil-images/mine/4hra) | Crystal Structure of DOT1L in Complex with EPZ-5676 | Descriptor: | 5'-[{cis-3-[2-(5-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl}(propan-2-yl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Jin, L. | Deposit date: | 2012-10-26 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Potent inhibition of DOT1L as treatment of MLL-fusion leukemia. Blood, 122, 2013
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1WMM
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![BU of 1wmm by Molmil](/molmil-images/mine/1wmm) | |
4MML
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![BU of 4mml by Molmil](/molmil-images/mine/4mml) | D40A Hfq from Pseudomonas aeruginosa | Descriptor: | MAGNESIUM ION, Protein hfq, SULFATE ION, ... | Authors: | Murina, V.N, Filimonov, V.V, Melnik, B.S, Uhlein, M, Mueller, U, Weiss, M, Nikulin, A.D. | Deposit date: | 2013-09-09 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Effect of conserved intersubunit amino Acid substitutions on hfq protein structure and stability. Biochemistry Mosc., 79, 2014
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3NPV
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![BU of 3npv by Molmil](/molmil-images/mine/3npv) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution | Descriptor: | deoxyribose phosphate aldolase | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2010-06-29 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
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6EK6
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![BU of 6ek6 by Molmil](/molmil-images/mine/6ek6) | Crystal structure of KDM5B in complex with S49195a. | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ... | Authors: | Srikannathasan, V, Szykowska, A, Newman, J.A, Ruda, G.F, Strain-Damerell, C, Burgess-Brown, N.A, Vazquez-Rodriguez, S, Wright, M, Brennan, P.E, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | Deposit date: | 2017-09-25 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of KDM5B in complex with S49195a. To be published
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2MDQ
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4HWO
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3NQ2
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![BU of 3nq2 by Molmil](/molmil-images/mine/3nq2) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R2 3/5G | Descriptor: | IMIDAZOLE, deoxyribose phosphate aldolase | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2010-06-29 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
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3NR0
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![BU of 3nr0 by Molmil](/molmil-images/mine/3nr0) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R6 6/10A | Descriptor: | deoxyribose phosphate aldolase | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2010-06-30 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
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4L9I
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![BU of 4l9i by Molmil](/molmil-images/mine/4l9i) | |
4HWR
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![BU of 4hwr by Molmil](/molmil-images/mine/4hwr) | |
6EIM
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![BU of 6eim by Molmil](/molmil-images/mine/6eim) | Human STK10 bound to GW683134A | Descriptor: | 1,2-ETHANEDIOL, Serine/threonine-protein kinase 10, ~{N}-[5-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1~{H}-benzimidazol-2-yl]furan-2-carboxamide | Authors: | Sorrell, F.J, Berger, B.-T, Salah, E, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Elkins, J.M. | Deposit date: | 2017-09-19 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Human STK10 bound to GW683134 To Be Published
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6EJ1
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![BU of 6ej1 by Molmil](/molmil-images/mine/6ej1) | Crystal structure of KDM5B in complex with KDOPZ48a. | Descriptor: | 1,2-ETHANEDIOL, 5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | Deposit date: | 2017-09-19 | Release date: | 2018-05-02 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Crystal structure of KDM5B in complex with KDOPZ48a. to be published
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3NPX
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![BU of 3npx by Molmil](/molmil-images/mine/3npx) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution | Descriptor: | deoxyribose phosphate aldolase | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2010-06-29 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
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