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3UMX
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BU of 3umx by Molmil
Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indol-3-yl)methylene]-7-(azepan-1-ylmethyl)-6-hydroxybenzofuran-3(2H)-one
Descriptor: (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3(2H)-one, Proto-oncogene serine/threonine-protein kinase pim-1, SULFATE ION
Authors:Parker, L.J, Handa, N, Yokoyama, S.
Deposit date:2011-11-15
Release date:2012-08-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor
Acta Crystallogr.,Sect.F, 68, 2012
3WE4
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BU of 3we4 by Molmil
Crystal structure of S6K1 kinase domain in complex with a pyrimidine derivative PF-4708671 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, Ribosomal protein S6 kinase beta-1, ZINC ION
Authors:Niwa, H, Shirouzu, M, Yokoyama, S.
Deposit date:2013-06-29
Release date:2014-08-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
5GHL
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BU of 5ghl by Molmil
Crystal structure Analysis of the starch-binding domain of glucoamylase from Aspergillus niger
Descriptor: GLYCEROL, Glucoamylase, SULFATE ION
Authors:Miyake, H, Suyama, Y, Muraki, N, Kusunoki, M, Tanaka, A.
Deposit date:2016-06-20
Release date:2017-10-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the starch-binding domain of glucoamylase from Aspergillus niger.
Acta Crystallogr.,Sect.F, 73, 2017
1IXD
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BU of 1ixd by Molmil
Solution structure of the CAP-GLY domain from human cylindromatosis tomour-suppressor CYLD
Descriptor: Cylindromatosis tumour-suppressor CYLD
Authors:Saito, K, Koshiba, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2002-06-19
Release date:2002-12-19
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:The CAP-Gly domain of CYLD associates with the proline-rich sequence in NEMO/IKKgamma
STRUCTURE, 12, 2004
2CY1
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BU of 2cy1 by Molmil
Crystal structure of APE1850
Descriptor: NusA protein homolog
Authors:Shibata, R, Bessho, Y, Umehara, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-07-04
Release date:2006-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallization of the archaeal transcription termination factor NusA: a significant decrease in twinning under microgravity conditions
Acta Crystallogr.,Sect.F, 63, 2007
7XE1
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BU of 7xe1 by Molmil
Crystal structure of LSD2 in complex with cis-4-Br-PCPA
Descriptor: 3-(4-bromophenyl)propanal, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
Authors:Niwa, H, Sato, S, Umehara, T.
Deposit date:2022-03-29
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
7XE2
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BU of 7xe2 by Molmil
Crystal structure of LSD2 in complex with trans-4-Br-PCPA
Descriptor: 3-(4-bromophenyl)propanal, CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Niwa, H, Sato, S, Umehara, T.
Deposit date:2022-03-29
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
7XE3
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BU of 7xe3 by Molmil
Crystal structure of LSD2 in complex with cis-4-Br-2,5-F2-PCPA (S1024)
Descriptor: 1,2-ETHANEDIOL, 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal, CITRATE ANION, ...
Authors:Niwa, H, Sato, S, Umehara, T.
Deposit date:2022-03-29
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
7W3L
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BU of 7w3l by Molmil
Crystal structure of LSD1 in complex with cis-4-Br-2,5-F2-PCPA (S1024)
Descriptor: 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Niwa, H, Sato, S, Umehara, T.
Deposit date:2021-11-25
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
2RR6
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BU of 2rr6 by Molmil
Solution structure of the leucine rich repeat of human acidic leucine-rich nuclear phosphoprotein 32 family member B
Descriptor: Acidic leucine-rich nuclear phosphoprotein 32 family member B
Authors:Tochio, N, Umehara, T, Tsuda, K, Koshiba, S, Harada, T, Watanabe, S, Tanaka, A, Kigawa, T, Yokoyama, S.
Deposit date:2010-05-25
Release date:2010-06-09
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of histone chaperone ANP32B: interaction with core histones H3-H4 through its acidic concave domain.
J.Mol.Biol., 401, 2010
7C3G
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BU of 7c3g by Molmil
Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134
Descriptor: 1,2-ETHANEDIOL, Activin receptor type-1, SULFATE ION, ...
Authors:Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M.
Deposit date:2020-05-12
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva.
Bioorg.Med.Chem.Lett., 38, 2021
6JUX
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BU of 6jux by Molmil
Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-71807
Descriptor: 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine, Activin receptor type-1, SULFATE ION
Authors:Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M.
Deposit date:2019-04-15
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis of Activin Receptor-Like Kinase 2 (R206H) Inhibition by Bis-heteroaryl Pyrazole-Based Inhibitors for the Treatment of Fibrodysplasia Ossificans Progressiva Identified by the Integration of Ligand-Based and Structure-Based Drug Design Approaches.
Acs Omega, 5, 2020
1UL7
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BU of 1ul7 by Molmil
Solution structure of kinase associated domain 1 of mouse MAP/microtubule affinity-regulating kinase 3
Descriptor: MAP/microtubule affinity-regulating kinase 3
Authors:Tochio, N, Koshiba, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-09-10
Release date:2004-03-10
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the kinase-associated domain 1 of mouse microtubule-associated protein/microtubule affinity-regulating kinase 3
Protein Sci., 15, 2006
1WFS
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BU of 1wfs by Molmil
Solution Structure of Glia Maturation Factor-gamma from Mus Musculus
Descriptor: Glia maturation factor gamma
Authors:Goroncy, A.K, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-26
Release date:2004-11-26
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR solution structures of actin depolymerizing factor homology domains.
Protein Sci., 18, 2009
1WGU
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BU of 1wgu by Molmil
Solution Structure of the C-terminal Phosphotyrosine Interaction Domain of APBB2 from Mouse
Descriptor: amyloid beta (A4) precursor protein-binding, family B, member 2
Authors:Li, H, Hayashi, F, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-28
Release date:2004-11-28
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode
J.Biol.Chem., 283, 2008
1WVO
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BU of 1wvo by Molmil
Solution structure of RSGI RUH-029, an antifreeze protein like domain in human N-acetylneuraminic acid phosphate synthase gene.
Descriptor: Sialic acid synthase
Authors:Ito, Y, Hamada, T, Hayashi, F, Yokoyama, S, Hirota, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-12-22
Release date:2006-01-03
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the antifreeze-like domain of human sialic acid synthase
Protein Sci., 15, 2006
1WWY
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BU of 1wwy by Molmil
Solution structure of the DUF1000 domain of a thioredoxin-like protein 1
Descriptor: Thioredoxin-like protein 1
Authors:Goroncy, A.K, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-01-18
Release date:2005-07-18
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the C-terminal DUF1000 domain of the human thioredoxin-like 1 protein.
Proteins, 78, 2010
1WFQ
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BU of 1wfq by Molmil
Solution structure of the first cold-shock domain of the human KIAA0885 protein (UNR protein)
Descriptor: UNR protein
Authors:Goroncy, A.K, Kigawa, T, Koshiba, S, Tomizawa, T, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-26
Release date:2004-11-26
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The NMR solution structures of the five constituent cold-shock domains (CSD) of the human UNR (upstream of N-ras) protein.
J.Struct.Funct.Genom., 11, 2010
1X67
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BU of 1x67 by Molmil
Solution structure of the cofilin homology domain of HIP-55 (drebrin-like protein)
Descriptor: Drebrin-like protein
Authors:Goroncy, A.K, Kigawa, T, Koshiba, S, Sato, M, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-17
Release date:2005-11-17
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR solution structures of actin depolymerizing factor homology domains.
Protein Sci., 18, 2009
1X65
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BU of 1x65 by Molmil
Solution structure of the third cold-shock domain of the human KIAA0885 protein (UNR PROTEIN)
Descriptor: UNR protein
Authors:Goroncy, A.K, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-17
Release date:2005-11-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The NMR solution structures of the five constituent cold-shock domains (CSD) of the human UNR (upstream of N-ras) protein.
J.Struct.Funct.Genom., 11, 2010
7VQT
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BU of 7vqt by Molmil
Crystal structure of LSD1 in complex with compound 5
Descriptor: 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-4-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T.
Deposit date:2021-10-20
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles.
Acs Med.Chem.Lett., 13, 2022
7VQS
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BU of 7vqs by Molmil
Crystal structure of LSD1 in complex with compound 4
Descriptor: 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T.
Deposit date:2021-10-20
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles.
Acs Med.Chem.Lett., 13, 2022
7VQU
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BU of 7vqu by Molmil
Crystal structure of LSD1 in complex with compound S1427
Descriptor: 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T.
Deposit date:2021-10-20
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles.
Acs Med.Chem.Lett., 13, 2022
5YVB
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BU of 5yvb by Molmil
Structure of CaMKK2 in complex with CKI-011
Descriptor: (3Z)-5-chloro-3-[(1-methyl-1H-pyrazol-4-yl)methylidene]-1,3-dihydro-2H-indol-2-one, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ...
Authors:Niwa, H, Handa, N, Yokoyama, S.
Deposit date:2017-11-24
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
5YV9
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BU of 5yv9 by Molmil
Structure of CaMKK2 in complex with CKI-009
Descriptor: 5-chloro-2-methoxy-4[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ...
Authors:Niwa, H, Handa, N, Yokoyama, S.
Deposit date:2017-11-24
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020

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