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5MNW
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BU of 5mnw by Molmil
Solution structure of the cinaciguat bound human beta1 H-NOX.
Descriptor: 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid, Guanylate cyclase soluble subunit beta-1
Authors:Matzapetakis, M, Saraiva, I.H.
Deposit date:2016-12-13
Release date:2018-06-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of the cinaciguat bound human beta1 H-NOX.
To Be Published
5XAU
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BU of 5xau by Molmil
Crystal structure of integrin binding fragment of laminin-511
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:Takizawa, M, Arimori, T, Kitago, Y, Takagi, J, Sekiguchi, K.
Deposit date:2017-03-15
Release date:2017-09-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanistic basis for the recognition of laminin-511 by alpha 6 beta 1 integrin.
Sci Adv, 3, 2017
5TPX
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BU of 5tpx by Molmil
Bromodomain from Plasmodium Faciparum Gcn5, complexed with compound
Descriptor: (1S,2S)-N~1~,N~1~-dimethyl-N~2~-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine, CHLORIDE ION, Histone acetyltransferase GCN5, ...
Authors:Lin, Y.H, Hou, C.F.D, MOUSTAKIM, M, DIXON, D.J, Loppnau, P, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, BRENNAN, P.E, Walker, J.R, Structural Genomics Consortium (SGC)
Deposit date:2016-10-21
Release date:2017-01-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a PCAF Bromodomain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 56, 2017
6HT1
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BU of 6ht1 by Molmil
Crystal structure of MLLT1 (ENL) YEATS domain in complexed with SGC-iMLLT (compound 92)
Descriptor: 1,2-ETHANEDIOL, 1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ...
Authors:Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-10-02
Release date:2018-10-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of an MLLT1/3 YEATS Domain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 57, 2018
6HT0
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BU of 6ht0 by Molmil
Crystal structure of MLLT1 (ENL) YEATS domain in complexed with compound 94
Descriptor: 1,2-ETHANEDIOL, 1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ...
Authors:Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-10-02
Release date:2018-10-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of an MLLT1/3 YEATS Domain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 57, 2018
2LKV
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BU of 2lkv by Molmil
Staphylococcal Nuclease PHS variant
Descriptor: Thermonuclease
Authors:Matzapetakis, M, Pais, T.M, Lamosa, P, Turner, D.L, Santos, H.
Deposit date:2011-10-21
Release date:2012-09-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Mannosylglycerate stabilizes staphylococcal nuclease with restriction of slow beta-sheet motions.
Protein Sci., 21, 2012
2CWV
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BU of 2cwv by Molmil
Product schiff-base intermediate of copper amine oxidase from arthrobacter globiformis
Descriptor: COPPER (II) ION, Phenylethylamine oxidase
Authors:Chiu, Y.C, Okajima, T, Murakawa, T, Uchida, M, Taki, M, Hirota, S, Kim, M, Yamaguchi, H, Kawano, Y, Kamiya, N, Kuroda, S, Hayashi, H, Yamamoto, Y, Tanizawa, K.
Deposit date:2005-06-26
Release date:2006-05-02
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Kinetic and Structural Studies on the Catalytic Role of the Aspartic Acid Residue Conserved in Copper Amine Oxidase(,)
Biochemistry, 45, 2006
2CWU
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BU of 2cwu by Molmil
Substrate schiff-base intermediate of copper amine oxidase from arthrobacter globiformis
Descriptor: COPPER (II) ION, Phenylethylamine oxidase
Authors:Chiu, Y.C, Okajima, T, Murakawa, T, Uchida, M, Taki, M, Hirota, S, Kim, M, Yamaguchi, H, Kawano, Y, Kamiya, N, Kuroda, S, Hayashi, H, Yamamoto, Y, Tanizawa, K.
Deposit date:2005-06-26
Release date:2006-05-02
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Kinetic and Structural Studies on the Catalytic Role of the Aspartic Acid Residue Conserved in Copper Amine Oxidase(,)
Biochemistry, 45, 2006
2CWT
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BU of 2cwt by Molmil
Catalytic base deletion in copper amine oxidase from arthrobacter globiformis
Descriptor: COPPER (II) ION, Phenylethylamine oxidase
Authors:Chiu, Y.C, Okajima, T, Murakawa, T, Uchida, M, Taki, M, Hirota, S, Kim, M, Yamaguchi, H, Kawano, Y, Kamiya, N, Kuroda, S, Hayashi, H, Yamamoto, Y, Tanizawa, K.
Deposit date:2005-06-26
Release date:2006-05-02
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Kinetic and Structural Studies on the Catalytic Role of the Aspartic Acid Residue Conserved in Copper Amine Oxidase(,)
Biochemistry, 45, 2006
2E2V
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BU of 2e2v by Molmil
Substrate Schiff-base analogue of copper amine oxidase from Arthrobacter globiformis formed with benzylhydrazine
Descriptor: COPPER (II) ION, Phenylethylamine oxidase
Authors:Murakawa, T, Okajima, T, Taki, M, Yamamoto, Y, Kuroda, S, Hayashi, H, Tanizawa, K.
Deposit date:2006-11-17
Release date:2007-11-20
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Catalytic Regulation Conducted by the Substrate Schiff Base and Conserved Aspartic Acid Residue in Bacterial Copper Amine Oxidase Reaction
To be Published
2E2T
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BU of 2e2t by Molmil
Substrate Schiff-base analogue of copper amine oxidase from Arthrobacter globiformis formed with phenylhydrazine
Descriptor: COPPER (II) ION, Phenylethylamine oxidase
Authors:Murakawa, T, Okajima, T, Taki, M, Yamamoto, Y, Kuroda, S, Hayashi, H, Tanizawa, K.
Deposit date:2006-11-17
Release date:2007-11-20
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Catalytic Regulation Conducted by the Substrate Schiff Base and Conserved Aspartic Acid Residue in Bacterial Copper Amine Oxidase Reaction
To be Published
2D1W
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BU of 2d1w by Molmil
Substrate Schiff-Base intermediate with tyramine in copper amine oxidase from Arthrobacter globiformis
Descriptor: COPPER (II) ION, Phenylethylamine oxidase
Authors:Murakawa, T, Okajima, T, Kuroda, S, Nakamoto, T, Taki, M, Yamamoto, Y, Hayashi, H, Tanizawa, K.
Deposit date:2005-09-01
Release date:2006-05-02
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Quantum mechanical hydrogen tunneling in bacterial copper amine oxidase reaction
Biochem.Biophys.Res.Commun., 342, 2006
2E2U
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BU of 2e2u by Molmil
Substrate Schiff-base analogue of copper amine oxidase from Arthrobacter globiformis formed with 4-hydroxybenzylhydrazine
Descriptor: COPPER (II) ION, Phenylethylamine oxidase
Authors:Murakawa, T, Okajima, T, Taki, M, Yamamoto, Y, Hayashi, H, Tanizawa, K.
Deposit date:2006-11-17
Release date:2007-11-20
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Catalytic Regulation Conducted by the Substrate Schiff Base and Conserved Aspartic Acid Residue in Bacterial Copper Amine Oxidase Reaction
To be Published
7X9U
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BU of 7x9u by Molmil
Type-II KH motif of human mitochondrial RbfA
Descriptor: Putative ribosome-binding factor A, mitochondrial
Authors:Kuwasako, K, Suzuki, S, Furue, M, Takizawa, M, Takahashi, M, Tsuda, K, Nagata, T, Watanabe, S, Tanaka, A, Kobayashi, N, Kigawa, T, Guntert, P, Shirouzu, M, Yokoyama, S, Muto, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2022-03-16
Release date:2023-01-25
Method:SOLUTION NMR
Cite:1 H, 13 C, and 15 N resonance assignments and solution structures of the KH domain of human ribosome binding factor A, mtRbfA, involved in mitochondrial ribosome biogenesis.
Biomol.Nmr Assign., 16, 2022
6T1N
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BU of 6t1n by Molmil
Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 5
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL
Authors:Chaikuad, A, Heidenreich, D, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-10-04
Release date:2019-11-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1.
Acs Med.Chem.Lett., 10, 2019
4MJI
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BU of 4mji by Molmil
T cell response to a HIV reverse transcriptase epitope presented by the protective allele HLA-B*51:01
Descriptor: Beta-2-microglobulin, HIV Reverse Transcriptase peptide Marker, HLA class I histocompatibility antigen, ...
Authors:Rizkallah, P.J, Cole, D.K, Sewell, A.K, Motozono, C, Takiguchi, M.
Deposit date:2013-09-03
Release date:2014-05-28
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Molecular basis of a dominant T cell response to an HIV reverse transcriptase 8-mer epitope presented by the protective allele HLA-B*51:01
J.Immunol., 192, 2014
6T1M
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BU of 6t1m by Molmil
Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 4
Descriptor: 1,2-ETHANEDIOL, 4-cyano-~{N}-[2-(piperidin-1-ylmethyl)-1~{H}-benzimidazol-5-yl]benzamide, Protein ENL
Authors:Chaikuad, A, Heidenreich, D, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-10-04
Release date:2019-11-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1.
Acs Med.Chem.Lett., 10, 2019
6T1O
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BU of 6t1o by Molmil
Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 6
Descriptor: 1,2-ETHANEDIOL, 4-iodanyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL
Authors:Chaikuad, A, Heidenreich, D, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-10-04
Release date:2019-11-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1.
Acs Med.Chem.Lett., 10, 2019
6HPW
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BU of 6hpw by Molmil
Crystal structure of ENL (MLLT1) in complex with compound 20
Descriptor: 1,2-ETHANEDIOL, 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL
Authors:Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-09-22
Release date:2018-11-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
3W39
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BU of 3w39 by Molmil
Crystal structure of HLA-B*5201 in complexed with HIV immunodominant epitope (TAFTIPSI)
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-52 alpha chain, ...
Authors:Yagita, Y, Kuse, N, Kuroki, K, Gatanaga, H, Carlson, J.M, Chikata, T, Brumme, Z.L, Murakoshi, H, Akahoshi, T, Pfeifer, N, Mallal, S, John, M, Ose, T, Matsubara, H, Kanda, R, Fukunaga, Y, Honda, K, Kawashima, Y, Ariumi, Y, Oka, S, Maenaka, K, Takiguchi, M.
Deposit date:2012-12-13
Release date:2013-02-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Distinct HIV-1 Escape Patterns Selected by Cytotoxic T Cells with Identical Epitope Specificity
J.Virol., 87, 2013
7VH9
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BU of 7vh9 by Molmil
Solution structure of the chimeric peptide of the first SURP domain of Human SF3A1 and the interacting region of SF1.
Descriptor: Splicing factor 3A subunit 1,Splicing factor 1
Authors:Muto, Y, Kuwasako, K, Takizawa, M, Kobayashi, N, Sakamoto, T.
Deposit date:2021-09-21
Release date:2022-09-28
Last modified:2023-10-25
Method:SOLUTION NMR
Cite:Structural basis for the interaction between the first SURP domain of the SF3A1 subunit in U2 snRNP and the human splicing factor SF1.
Protein Sci., 31, 2022
2MPF
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BU of 2mpf by Molmil
Solution structure human HCN2 CNBD in the cAMP-unbound state
Descriptor: Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2
Authors:Saponaro, A, Pauleta, S.R, Cantini, F, Matzapetakis, M, Hammann, C, Banci, L, Thiel, G, Santoro, B, Moroni, A.
Deposit date:2014-05-16
Release date:2014-09-03
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural basis for the mutual antagonism of cAMP and TRIP8b in regulating HCN channel function.
Proc.Natl.Acad.Sci.USA, 111, 2014
1E27
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BU of 1e27 by Molmil
Nonstandard peptide binding of HLA-B*5101 complexed with HIV immunodominant epitope KM1(LPPVVAKEI)
Descriptor: BETA-2 MICROGLOBULIN LIGHT CHAIN, HIV-1 PEPTIDE (LPPVVAKEI), HLA CLASS I HISTOCOMPATIBILITY ANTIGEN HEAVY CHAIN
Authors:Maenaka, K, Maenaka, T, Tomiyama, H, Takiguchi, M, Stuart, D.I, Jones, E.Y.
Deposit date:2000-05-18
Release date:2000-09-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Nonstandard peptide binding revealed by crystal structures of HLA-B*5101 complexed with HIV immunodominant epitopes.
J Immunol., 165, 2000
1E28
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BU of 1e28 by Molmil
Nonstandard peptide binding of HLA-B*5101 complexed with HIV immunodominant epitope KM2(TAFTIPSI)
Descriptor: BETA-2 MICROGLOBULIN LIGHT CHAIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN HEAVY CHAIN, PEPTIDE
Authors:Maenaka, K, Maenaka, T, Tomiyama, H, Takiguchi, M, Stuart, D.I, Jones, E.Y.
Deposit date:2000-05-18
Release date:2000-09-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Nonstandard peptide binding revealed by crystal structures of HLA-B*5101 complexed with HIV immunodominant epitopes.
J Immunol., 165, 2000
2ZL8
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BU of 2zl8 by Molmil
Crystal structure of copper amine oxidase from Arthrobacter globiformis: Substrate Schiff-base intermediate formed with ethylamine
Descriptor: COPPER (II) ION, Phenylethylamine oxidase
Authors:Murakawa, T, Okajima, T.
Deposit date:2008-04-03
Release date:2008-08-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Further insight into the mechanism of stereoselective proton abstraction by bacterial copper amine oxidase
Biochemistry, 47, 2008

 

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