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7XN2
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BU of 7xn2 by Molmil
Crystal structure of CvkR, a novel MerR-type transcriptional regulator
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Alr3614 protein, DI(HYDROXYETHYL)ETHER
Authors:Liang, Y.J, Zhu, T, Ma, H.L, Lu, X.F, Hess, W.R.
Deposit date:2022-04-27
Release date:2023-03-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:CvkR is a MerR-type transcriptional repressor of class 2 type V-K CRISPR-associated transposase systems.
Nat Commun, 14, 2023
8CDW
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BU of 8cdw by Molmil
CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 7-(1-methyl-1H-pyrazol-4-yl)-N-[4-(1-methylpiperidin-4-yl)phenyl]quinazolin-2-amine
Descriptor: Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-7-(1-methylpyrazol-4-yl)quinazolin-2-amine
Authors:Musil, D, Toure, M.
Deposit date:2023-02-01
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
8CIJ
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BU of 8cij by Molmil
CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one
Descriptor: 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Musil, D, Toure, M.
Deposit date:2023-02-09
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.821 Å)
Cite:Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
6SZM
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BU of 6szm by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2009
Descriptor: 1,2-ETHANEDIOL, 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine, AMMONIUM ION, ...
Authors:Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2019-10-02
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
4IBM
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BU of 4ibm by Molmil
Crystal structure of insulin receptor kinase domain in complex with an inhibitor Irfin-1
Descriptor: 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-3H-pyrazolo[3,4-c]pyridazin-3-one, Insulin receptor
Authors:Wu, J, Anastassiadis, T, Duong-Ly, K.C, Peterson, J.R.
Deposit date:2012-12-08
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A highly selective dual insulin receptor (IR)/insulin-like growth factor 1 receptor (IGF-1R) inhibitor derived from an extracellular signal-regulated kinase (ERK) inhibitor.
J.Biol.Chem., 288, 2013
6EJG
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BU of 6ejg by Molmil
CRYSTAL STRUCTURE OF HUMAN CD81 LARGE EXTRACELLULAR LOOP IN COMPLEX WITH SINGLE CHAIN FV FRAGMENT 4
Descriptor: CD81 antigen, SINGLE CHAIN FV FRAGMENT
Authors:Harris, S.F, Wong, A, Kuglstatter, A.
Deposit date:2017-09-21
Release date:2018-05-30
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structure-Guided Combinatorial Engineering Facilitates Affinity and Specificity Optimization of Anti-CD81 Antibodies.
J. Mol. Biol., 430, 2018
6EJM
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BU of 6ejm by Molmil
CRYSTAL STRUCTURE OF HUMAN CD81 LARGE EXTRACELLULAR LOOP IN COMPLEX WITH SINGLE CHAIN FV FRAGMENT 5
Descriptor: CD81 antigen, SINGLE CHAIN FV FRAGMENT
Authors:Kuglstatter, A, Harris, S.F, Villasenor, A.
Deposit date:2017-09-22
Release date:2018-05-30
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Guided Combinatorial Engineering Facilitates Affinity and Specificity Optimization of Anti-CD81 Antibodies.
J. Mol. Biol., 430, 2018
6EK2
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BU of 6ek2 by Molmil
CRYSTAL STRUCTURE OF HUMAN CD81 LARGE EXTRACELLULAR LOOP IN COMPLEX WITH SINGLE CHAIN FV FRAGMENT 10
Descriptor: CD81 antigen, SINGLE CHAIN FV FRAGMENT
Authors:Harris, S.F, Villasenor, A, Kuglstatter, A.
Deposit date:2017-09-25
Release date:2018-05-30
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-Guided Combinatorial Engineering Facilitates Affinity and Specificity Optimization of Anti-CD81 Antibodies.
J. Mol. Biol., 430, 2018
3PE6
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BU of 3pe6 by Molmil
Crystal Structure of a soluble form of human MGLL in complex with an inhibitor
Descriptor: (2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone, Monoglyceride lipase
Authors:Schubert, C, Schalk-Hih, C.
Deposit date:2010-10-25
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of a soluble form of human monoglyceride lipase in complex with an inhibitor at 1.35 A resolution.
Protein Sci., 20, 2011
7YKC
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BU of 7ykc by Molmil
crystal structure of the Phenylalanine-regulated 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (ARO3) from Saccharomyces cerevisiae
Descriptor: 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase
Authors:Liu, H, Luo, Y.
Deposit date:2022-07-22
Release date:2023-07-26
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Mechanistic investigation of a D to N mutation in DAHP synthase that dictates carbon flux into the shikimate pathway in yeast.
Commun Chem, 6, 2023
8HGI
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BU of 8hgi by Molmil
Crystal structure of VNAR aGFP14 in complex with GFP
Descriptor: GFP, VNAR aGFP14, [2-(3-CARBAMOYL-1-IMINO-PROPYL)-4-(4-HYDROXY-BENZYLIDENE)-5-OXO-4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID
Authors:Zheng, P, Zhu, C, Jin, T.
Deposit date:2022-11-14
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Selection, identification and crystal structure of shark-derived single-domain antibodies against a green fluorescent protein.
Int.J.Biol.Macromol., 247, 2023
7XDQ
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BU of 7xdq by Molmil
Crystal structure of a glucosylglycerol phosphorylase mutant from Marinobacter adhaerens
Descriptor: Glucosylglycerol phosphorylase, LITHIUM ION, beta-D-glucopyranose
Authors:Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X.
Deposit date:2022-03-28
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
7XDR
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BU of 7xdr by Molmil
Crystal structure of a glucosylglycerol phosphorylase from Marinobacter adhaerens
Descriptor: Glucosylglycerol phosphorylase
Authors:Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X.
Deposit date:2022-03-28
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
5YEV
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BU of 5yev by Molmil
Murine DR3 death domain
Descriptor: SULFATE ION, TNFRSF25 death domain
Authors:Yin, X, Jin, T.
Deposit date:2017-09-19
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
5YGP
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BU of 5ygp by Molmil
Human TNFRSF25 death domain mutant-D412E
Descriptor: SULFATE ION, TNFRSF25 death domain, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Yin, X, Jin, T.C.
Deposit date:2017-09-25
Release date:2018-10-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
5Y2G
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BU of 5y2g by Molmil
Structure of MBP tagged GBS CAMP
Descriptor: Maltose-binding periplasmic protein,Protein B, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Jin, T, Li, Y.
Deposit date:2017-07-25
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure determination of the CAMP factor of Streptococcus agalactiae with the aid of an MBP tag and insights into membrane-surface attachment.
Acta Crystallogr D Struct Biol, 75, 2019
5YGS
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BU of 5ygs by Molmil
Human TNFRSF25 death domain
Descriptor: Human TNRSF25 death domain, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Yin, X, Jin, T.
Deposit date:2017-09-26
Release date:2018-10-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.691 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
5YZP
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BU of 5yzp by Molmil
Crystal structure of p204 HINa domain
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Ifi204
Authors:Jin, T.
Deposit date:2017-12-15
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.581 Å)
Cite:Structural mechanism of DNA recognition by the p204 HIN domain.
Nucleic Acids Res., 2021
5Z7D
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BU of 5z7d by Molmil
p204HINab-dsDNA complex structure
Descriptor: DNA (5'-D(P*CP*CP*AP*TP*CP*AP*GP*AP*AP*AP*GP*AP*GP*AP*GP*C)-3'), Interferon-activable protein 204
Authors:Jin, T, Jiang, J, Xiao, T.S.
Deposit date:2018-01-28
Release date:2019-01-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Structural mechanism of DNA recognition by the p204 HIN domain.
Nucleic Acids Res., 2021
5YZW
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BU of 5yzw by Molmil
Crystal structure of p204 HINb domain
Descriptor: Ifi204
Authors:Jin, T.
Deposit date:2017-12-15
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural mechanism of DNA recognition by the p204 HIN domain.
Nucleic Acids Res., 2021
5ZNY
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BU of 5zny by Molmil
Structure of mDR3_DD-C363G with MBP tag
Descriptor: Maltose-binding periplasmic protein,Tumor necrosis factor receptor superfamily, member 25, SULFATE ION
Authors:Yin, X, Jin, T.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
5ZNZ
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BU of 5znz by Molmil
Structure of mDR3 DD with MBP tag mutant-I387V
Descriptor: Maltose-binding periplasmic protein,Tumor necrosis factor receptor superfamily, member 25, SULFATE ION
Authors:Jin, T, Yin, X.
Deposit date:2018-04-12
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
6IZG
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BU of 6izg by Molmil
Solution structure of Ufm1 protein from Trypanosoma brucei
Descriptor: Ubiquitin-fold modifier 1
Authors:Diwu, Y, Tu, X.
Deposit date:2018-12-19
Release date:2020-01-15
Last modified:2023-10-25
Method:SOLUTION NMR
Cite:Solution structure of TbUfm1 from Trypanosoma brucei and its binding to TbUba5.
J.Struct.Biol., 212, 2020
6JLC
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BU of 6jlc by Molmil
Structure determination of CAMP factor of Mobiluncus curtisii and insight into structural dynamics
Descriptor: ACETATE ION, CAMP factor
Authors:Jin, T.C, Zeng, W.H.
Deposit date:2019-03-04
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Structure determination of CAMP factor of Mobiluncus curtisii and insights into structural dynamics.
Int.J.Biol.Macromol., 150, 2020
6KI0
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BU of 6ki0 by Molmil
Crystal Structure of Human ASC-CARD
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Xu, Z.H, Jin, T.C.
Deposit date:2019-07-16
Release date:2020-07-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Homotypic CARD-CARD interaction is critical for the activation of NLRP1 inflammasome.
Cell Death Dis, 12, 2021

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