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6OTI
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BU of 6oti by Molmil
Carbonic Anhydrase IX mimic complexed with ureic benzene sulfonamide MB9-561B
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ...
著者Kota, A, McKenna, R.
登録日2019-05-03
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB9-561B
To Be Published
6ON1
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BU of 6on1 by Molmil
A resting state structure of L-DOPA dioxygenase from Streptomyces sclerotialus
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, L-DOPA dioxygenase
著者Wang, Y, Shin, I, Fu, Y, Colabroy, K, Liu, A.
登録日2019-04-19
公開日2019-06-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.982 Å)
主引用文献Crystal Structures of L-DOPA Dioxygenase fromStreptomyces sclerotialus.
Biochemistry, 58, 2019
6AYO
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BU of 6ayo by Molmil
Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with 5'-deoxy-5'-Propyl-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-propylpyrrolidin-3-ol, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-09-08
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase.
ACS Chem. Biol., 13, 2018
5JE2
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BU of 5je2 by Molmil
Crystal structure of Burkholderia glumae ToxA Y7F mutant with bound S-adenosylhomocysteine (SAH)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, Methyl transferase, ...
著者Fenwick, M.K, Philmus, B, Begley, T.P, Ealick, S.E.
登録日2016-04-17
公開日2016-05-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.519 Å)
主引用文献Burkholderia glumae ToxA Is a Dual-Specificity Methyltransferase That Catalyzes the Last Two Steps of Toxoflavin Biosynthesis.
Biochemistry, 55, 2016
6PDV
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BU of 6pdv by Molmil
Cu-Carbonic Anhydrase II, A Nitrite Reductase
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, Carbonic anhydrase 2, ...
著者Andring, J.T, McKenna, R.
登録日2019-06-19
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Structure and mechanism of copper-carbonic anhydrase II: a nitrite reductase.
Iucrj, 7, 2020
8GOB
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BU of 8gob by Molmil
Crystal Structure of Glycerol Dehydrogenase in the presence of NAD+
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycerol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Park, T, Hoang, H.N, Kang, J.Y, Park, J, Mun, S.A, Jin, M, Yang, J, Jung, C.-H, Eom, S.H.
登録日2022-08-24
公開日2023-06-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and functional insights into the flexible beta-hairpin of glycerol dehydrogenase.
Febs J., 290, 2023
5JTF
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BU of 5jtf by Molmil
Crystal structure of ArsN N-acetyltransferase from Pseudomonas putida KT2440
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative Phosphinothricin N-acetyltransferase
著者Venkadesh, S, Dheeman, D.S, Kandavelu, P, Rosen, B.P.
登録日2016-05-09
公開日2017-05-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.156 Å)
主引用文献Arsinothricin, an arsenic-containing non-proteinogenic amino acid analog of glutamate, is a broad-spectrum antibiotic.
Commun Biol, 2, 2019
5KA8
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BU of 5ka8 by Molmil
Protein Tyrosine Phosphatase 1B L192A mutant, open state
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 1
著者Choy, M.S, Peti, W, Page, R.
登録日2016-06-01
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.971 Å)
主引用文献Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
6P0E
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BU of 6p0e by Molmil
Human DNA Ligase 1 (E346A,E592A) bound to adenylated DNA containing an 8-oxo guanine:adenine base-pair
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A.
登録日2019-05-16
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Two-tiered enforcement of high-fidelity DNA ligation.
Nat Commun, 10, 2019
8DNJ
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BU of 8dnj by Molmil
Crystal structure of human KRAS G12C covalently bound with AstraZeneca WO2020/178282A1 compound 76
分子名称: 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Mohr, C.
登録日2022-07-11
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.
J.Comput.Aided Mol.Des., 36, 2022
5JY0
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BU of 5jy0 by Molmil
Crystal structure of Porphyromonas endodontalis DPP11 in complex with substrate
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Asp/Glu-specific dipeptidyl-peptidase, LEU-ASP-VAL
著者Bezerra, G.A, Cornaciu, I, Hoffmann, G, Djinovic-Carugo, K, Marquez, J.A.
登録日2016-05-13
公開日2017-06-14
最終更新日2017-06-21
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
6PEA
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BU of 6pea by Molmil
High Resolution Apo Carbonic Anhydrase II
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2
著者Andring, J.T, McKenna, R.
登録日2019-06-20
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structure and mechanism of copper-carbonic anhydrase II: a nitrite reductase.
Iucrj, 7, 2020
8E90
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BU of 8e90 by Molmil
Inhibition of Human Menin by SNDX-5613
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, ...
著者McKeever, B.M, KULKARNI, S, McGeehan, G.M.
登録日2022-08-26
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
4JOD
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BU of 4jod by Molmil
Crystal structure of human lysophosphatidic acid phosphatase type 6 complexed with Tris
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Lysophosphatidic acid phosphatase type 6
著者Li, J.
登録日2013-03-18
公開日2013-07-10
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structures and biochemical studies of human lysophosphatidic acid phosphatase type 6.
Protein Cell, 4, 2013
3SOS
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BU of 3sos by Molmil
Benzothiazinone inhibitor in complex with FXIa
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRIC ACID, Coagulation factor XI, ...
著者Fradera, X, Kazemier, B, Oubrie, A.
登録日2011-06-30
公開日2012-04-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献High-resolution crystal structures of factor XIa coagulation factor in complex with nonbasic high-affinity synthetic inhibitors.
Acta Crystallogr.,Sect.F, 68, 2012
1POS
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BU of 1pos by Molmil
CRYSTAL STRUCTURE OF A NOVEL DISULFIDE-LINKED "TREFOIL" MOTIF FOUND IN A LARGE FAMILY OF PUTATIVE GROWTH FACTORS
分子名称: PORCINE PANCREATIC SPASMOLYTIC POLYPEPTIDE
著者De, A, Brown, D, Gorman, M, Carr, M, Sanderson, M.R, Freemont, P.S.
登録日1993-10-08
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of a disulfide-linked "trefoil" motif found in a large family of putative growth factors.
Proc.Natl.Acad.Sci.USA, 91, 1994
5JXM
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BU of 5jxm by Molmil
Crystal Structure of Prenyltransferase PriB Apo Form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PriB
著者Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2016-05-13
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structure and specificity of a permissive bacterial C-prenyltransferase.
Nat. Chem. Biol., 13, 2017
5K9M
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BU of 5k9m by Molmil
Crystal Structure of PriB Binary Complex with Product Diphosphate
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYROPHOSPHATE 2-, PriB Prenyltransferase
著者Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2016-06-01
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure and specificity of a permissive bacterial C-prenyltransferase.
Nat. Chem. Biol., 13, 2017
5K89
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BU of 5k89 by Molmil
Crystal Structure of Human Calcium-Bound S100A1
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Protein S100-A1
著者Melville, Z, Aligholizadeh, E, McKnight, L.E, Weber, D, Pozharski, E, Weber, D.J.
登録日2016-05-27
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.249 Å)
主引用文献X-ray crystal structure of human calcium-bound S100A1.
Acta Crystallogr F Struct Biol Commun, 73, 2017
6Q1V
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BU of 6q1v by Molmil
Human DNA Ligase 1 (E592R) Bound to an Adenylated, hydroxyl terminated DNA nick
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ADENOSINE MONOPHOSPHATE, ...
著者Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A.
登録日2019-08-06
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Two-tiered enforcement of high-fidelity DNA ligation.
Nat Commun, 10, 2019
6Q78
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BU of 6q78 by Molmil
The structure of GH26C from Muricauda sp. MAR_2010_75
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GH26C
著者Robb, C.S, Hehemann, J.H.
登録日2018-12-13
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The structure of GH26C from Muricauda sp. MAR_2010_75
To Be Published
6QSY
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BU of 6qsy by Molmil
Engineered streptavidin variant (H--WY) in complex with the Strep-tag II peptide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Strep-tag II peptide, Streptavidin, ...
著者Skerra, A, Eichinger, A.
登録日2019-02-22
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Role of Changing Loop Conformations in Streptavidin Versions Engineered for High-affinity Binding of the Strep-tag II Peptide.
J.Mol.Biol., 433, 2021
2OMD
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BU of 2omd by Molmil
Crystal structure of molybdopterin converting factor subunit 2 (aq_2181) from aquifex aeolicus VF5
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FORMIC ACID, ...
著者Jeyakanthan, J, Kanaujia, S.P, Vasuki Ranjani, C, Sekar, K, Agari, Y, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-01-22
公開日2008-01-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of molybdopterin converting factor subunit 2 (aq_2181) from aquifex aeolicus VF5
To be Published
6QPK
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BU of 6qpk by Molmil
Zt-KP6-1: an effector from Zymoseptoria tritici
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRIC ACID, SULFATE ION, ...
著者Padilla, A, Hoh, F, De guillen, K.
登録日2019-02-14
公開日2020-03-04
最終更新日2020-11-04
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structure of ZtMax: an effector from Zymoseptoria
To Be Published
5LTZ
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BU of 5ltz by Molmil
GmhA_mutant Q175E
分子名称: 1,2-ETHANEDIOL, D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Vivoli, M, Harmer, N.J.
登録日2016-09-07
公開日2017-12-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Sci Rep, 7, 2017

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