5KE3
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![BU of 5ke3 by Molmil](/molmil-images/mine/5ke3) | Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a | Descriptor: | (S)-N-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide, BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETDB1, ... | Authors: | Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Ferreira de Freitas, R, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-09 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a to be published
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8E3E
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![BU of 8e3e by Molmil](/molmil-images/mine/8e3e) | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing CAST sequence (#10) | Descriptor: | DNA (5'-D(*CP*TP*TP*TP*GP*GP*GP*GP*AP*GP*GP*GP*GP*TP*CP*TP*TP*TP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*AP*AP*AP*GP*AP*CP*CP*CP*CP*TP*CP*CP*CP*CP*AP*AP*A)-3'), ZINC ION, ... | Authors: | Horton, J.R, Ren, R, Cheng, X. | Deposit date: | 2022-08-17 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia. J.Biol.Chem., 299, 2023
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1I54
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![BU of 1i54 by Molmil](/molmil-images/mine/1i54) | CYTOCHROME C (TUNA) 2FE:1ZN MIXED-METAL PORPHYRINS | Descriptor: | CYTOCHROME C, HEME C, PROTOPORPHYRIN IX CONTAINING ZN | Authors: | Crane, B.R, Tezcan, F.A, Winkler, J.R, Gray, H.B. | Deposit date: | 2001-02-24 | Release date: | 2001-05-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Electron tunneling in protein crystals. Proc.Natl.Acad.Sci.USA, 98, 2001
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1KMS
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![BU of 1kms by Molmil](/molmil-images/mine/1kms) | HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE (SRI-9439), A LIPOPHILIC ANTIFOLATE | Descriptor: | 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Klon, A.E, Heroux, A, Ross, L.J, Pathak, V, Johnson, C.A, Piper, J.R, Borhani, D.W. | Deposit date: | 2001-12-17 | Release date: | 2002-07-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Atomic structures of human dihydrofolate reductase complexed with NADPH and two lipophilic antifolates at 1.09 a and 1.05 a resolution. J.Mol.Biol., 320, 2002
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5K6H
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![BU of 5k6h by Molmil](/molmil-images/mine/5k6h) | |
6WIA
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![BU of 6wia by Molmil](/molmil-images/mine/6wia) | |
1JZF
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![BU of 1jzf by Molmil](/molmil-images/mine/1jzf) | Pseudomonas aeruginosa Oxidized Azurin(Cu2+) Ru(tpy)(phen)(His83) | Descriptor: | (2,2':6',2'-TERPYRIDINE)-(1,10-PHENANTHROLINE) RUTHENIUM (II), AZURIN, COPPER (II) ION, ... | Authors: | Crane, B.R, Di Bilio, A.J, Winkler, J.R, Gray, H.B. | Deposit date: | 2001-09-16 | Release date: | 2001-10-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Electron tunneling in single crystals of Pseudomonas aeruginosa azurins. J.Am.Chem.Soc., 123, 2001
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1JZI
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![BU of 1jzi by Molmil](/molmil-images/mine/1jzi) | Pseudomonas aeruginosa Azurin Re(phen)(CO)3(His83) | Descriptor: | (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), AZURIN, COPPER (II) ION, ... | Authors: | Crane, B.R, Di Bilio, A.J, Winkler, J.R, Gray, H.B. | Deposit date: | 2001-09-16 | Release date: | 2001-10-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Electron tunneling in single crystals of Pseudomonas aeruginosa azurins. J.Am.Chem.Soc., 123, 2001
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1JQD
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![BU of 1jqd by Molmil](/molmil-images/mine/1jqd) | Crystal Structure Analysis of Human Histamine Methyltransferase (Thr105 Polymorphic Variant) Complexed with AdoHcy and Histamine | Descriptor: | HISTAMINE, Histamine N-Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Horton, J.R, Sawada, K, Nishibori, M, Zhang, X, Cheng, X. | Deposit date: | 2001-08-06 | Release date: | 2002-08-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Two polymorphic forms of human histamine methyltransferase: structural, thermal, and kinetic comparisons. Structure, 9, 2001
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1JZG
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![BU of 1jzg by Molmil](/molmil-images/mine/1jzg) | Pseudomonas aeruginosa Reduced Azurin (Cu1+) Ru(tpy)(phen)(His83) | Descriptor: | (2,2':6',2'-TERPYRIDINE)-(1,10-PHENANTHROLINE) RUTHENIUM (II), AZURIN, COPPER (I) ION, ... | Authors: | Crane, B.R, Di Bilio, A.J, Winkler, J.R, Gray, H.B. | Deposit date: | 2001-09-16 | Release date: | 2001-10-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Electron tunneling in single crystals of Pseudomonas aeruginosa azurins. J.Am.Chem.Soc., 123, 2001
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1JZJ
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![BU of 1jzj by Molmil](/molmil-images/mine/1jzj) | Pseudomonas aeruginosa Azurin Os(bpy)2(im)(His83) | Descriptor: | COPPER (II) ION, DELTA-BIS(2,2'-BIPYRIDINE)IMIDAZOLE OSMIUM (II), LAMBDA-BIS(2,2'-BIPYRIDINE)IMIDAZOLE OSMIUM (II), ... | Authors: | Crane, B.R, Di Bilio, A.J, Winkler, J.R, Gray, H.B. | Deposit date: | 2001-09-16 | Release date: | 2001-10-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Electron tunneling in single crystals of Pseudomonas aeruginosa azurins. J.Am.Chem.Soc., 123, 2001
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5KCH
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![BU of 5kch by Molmil](/molmil-images/mine/5kch) | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy into weak electron density | Descriptor: | 4-methoxy-N-[(pyridin-2-yl)methyl]aniline, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETDB1, ... | Authors: | Tempel, W, Harding, R.J, Mader, P, Dobrovetsky, E, Walker, J.R, Brown, P.J, Schapira, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-06 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy To Be Published
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5KH6
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![BU of 5kh6 by Molmil](/molmil-images/mine/5kh6) | SETDB1 in complex with a fragment candidate | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Walker, J.R, Harding, R.J, Mader, P, Dobrovetsky, E, Dong, A, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Brown, P.J, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-14 | Release date: | 2016-09-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | SETDB1 in complex with a fragment candidate To be published
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8E4H
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![BU of 8e4h by Molmil](/molmil-images/mine/8e4h) | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGAGGAAGTGGG) | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*AP*GP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*CP*TP*TP*AP*T)-3'), Transcription factor PU.1 | Authors: | Terrell, J.R, Poon, G.M.K. | Deposit date: | 2022-08-18 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | DNA selection by the master transcription factor PU.1. Cell Rep, 42, 2023
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8E3R
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![BU of 8e3r by Molmil](/molmil-images/mine/8e3r) | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAAAGGAAGTGGG) | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*AP*AP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*TP*TP*TP*AP*T)-3'), Transcription factor PU.1 | Authors: | Terrell, J.R, Poon, G.M.K. | Deposit date: | 2022-08-17 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | DNA selection by the master transcription factor PU.1. Cell Rep, 42, 2023
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8E3K
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![BU of 8e3k by Molmil](/molmil-images/mine/8e3k) | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG) | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ... | Authors: | Terrell, J.R, Poon, G.M.K. | Deposit date: | 2022-08-17 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | DNA selection by the master transcription factor PU.1. Cell Rep, 42, 2023
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5K6I
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![BU of 5k6i by Molmil](/molmil-images/mine/5k6i) | Crystal structure of prefusion-stabilized RSV F single-chain 9-10 DS-Cav1 A149C-Y458C, S46G-E92D-S215P-K465Q variant. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, ... | Authors: | Joyce, M.G, Zhang, B, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-05-24 | Release date: | 2016-08-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV. Nat.Struct.Mol.Biol., 23, 2016
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8E5Y
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![BU of 8e5y by Molmil](/molmil-images/mine/8e5y) | |
8EE9
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![BU of 8ee9 by Molmil](/molmil-images/mine/8ee9) | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAAAGGAATGGGG) | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*AP*AP*AP*GP*GP*AP*AP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*CP*AP*TP*TP*CP*CP*TP*TP*TP*TP*AP*T)-3'), Transcription factor PU.1 | Authors: | Terrell, J.R, Poon, G.M.K. | Deposit date: | 2022-09-06 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | DNA selection by the master transcription factor PU.1. Cell Rep, 42, 2023
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8EBH
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![BU of 8ebh by Molmil](/molmil-images/mine/8ebh) | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAATGGGG) | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*CP*AP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), Transcription factor PU.1 | Authors: | Terrell, J.R, Poon, G.M.K. | Deposit date: | 2022-08-31 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | DNA selection by the master transcription factor PU.1. Cell Rep, 42, 2023
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1KGJ
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![BU of 1kgj by Molmil](/molmil-images/mine/1kgj) | Rat transthyretin (also called prealbumin) complex with 3',5'-dibromoflavone (EMD21388) | Descriptor: | 6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE, TRANSTHYRETIN | Authors: | Wojtczak, A, Neumann, P, Muziol, T, Cody, V, Luft, J.R, Pangborn, W. | Deposit date: | 2001-11-27 | Release date: | 2002-11-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Comparison of binding interactions of dibromoflavonoids with transthyretin. Acta Biochim.Pol., 48, 2001
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5KCO
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![BU of 5kco by Molmil](/molmil-images/mine/5kco) | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy | Descriptor: | DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETDB1, SULFATE ION, ... | Authors: | Tempel, W, Harding, R.J, Mader, P, Dobrovetsky, E, Walker, J.R, Brown, P.J, Schapira, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-06 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy To Be Published
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5KE2
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![BU of 5ke2 by Molmil](/molmil-images/mine/5ke2) | Crystal structure of SETDB1 Tudor domain in complex with inhibitor XST06472A | Descriptor: | (3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ... | Authors: | Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-09 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Crystal structure of SETDB1 Tudor domain in complex with inhibitor xst06472a to be published
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2C6P
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![BU of 2c6p by Molmil](/molmil-images/mine/2c6p) | Membrane-bound glutamate carboxypeptidase II (GCPII) in complex with phosphate anion | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R. | Deposit date: | 2005-11-11 | Release date: | 2006-02-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure of Glutamate Carboxypeptidase II, a Drug Target in Neuronal Damage and Prostate Cancer. Embo J., 25, 2006
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1KMV
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![BU of 1kmv by Molmil](/molmil-images/mine/1kmv) | HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND (Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE (SRI-9662), A LIPOPHILIC ANTIFOLATE | Descriptor: | (Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, DIMETHYL SULFOXIDE, ... | Authors: | Klon, A.E, Heroux, A, Ross, L.J, Pathak, V, Johnson, C.A, Piper, J.R, Borhani, D.W. | Deposit date: | 2001-12-17 | Release date: | 2002-07-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Atomic structures of human dihydrofolate reductase complexed with NADPH and two lipophilic antifolates at 1.09 a and 1.05 a resolution. J.Mol.Biol., 320, 2002
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