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2JTC
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BU of 2jtc by Molmil
3D structure and backbone dynamics of SPE B
Descriptor: Streptopain
Authors:Chuang, W, Wang, C, Houng, H, Chen, C, Wang, P.
Deposit date:2007-07-26
Release date:2008-08-26
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of streptopain: insight into diverse substrate specificity.
J.Biol.Chem., 284, 2009
4CSO
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BU of 4cso by Molmil
The structure of OrfY from Thermoproteus tenax
Descriptor: ORFY PROTEIN, TRANSCRIPTION FACTOR
Authors:Zeth, K, Hagemann, A, Siebers, B, Martin, J, Lupas, A.N.
Deposit date:2014-03-09
Release date:2014-03-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Challenging the state of the art in protein structure prediction: Highlights of experimental target structures for the 10th Critical Assessment of Techniques for Protein Structure Prediction Experiment CASP10.
Proteins, 82 Suppl 2, 2014
2M7F
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BU of 2m7f by Molmil
The C-terminal Region of Disintegrin Modulate its 3D Conformation and Cooperate with RGD Loop in Regulating Integrins Recognitions
Descriptor: Zinc metalloproteinase/disintegrin
Authors:Chuang, W, Chang, Y.
Deposit date:2013-04-22
Release date:2013-05-22
Method:SOLUTION NMR
Cite:The C-terminal Region of Disintegrin Modulate its 3D Conformation and Cooperate with RGD Loop in Regulating Recognitions of Integrins
To be Published
6M1K
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BU of 6m1k by Molmil
USP7 in complex with a novel inhibitor
Descriptor: Ubiquitin carboxyl-terminal hydrolase 7, methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate
Authors:Liu, S.J, Zhou, X.Y, Li, M.L, Sun, H.B, Wen, X.A.
Deposit date:2020-02-26
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.255 Å)
Cite:N-benzylpiperidinol derivatives as novel USP7 inhibitors: Structure-activity relationships and X-ray crystallographic studies.
Eur.J.Med.Chem., 199, 2020
4LGI
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BU of 4lgi by Molmil
N-terminal truncated NleC structure
Descriptor: Uncharacterized protein
Authors:Li, W.Q, Liu, Y.X, Sheng, X.L, Yan, C.Y, Wang, J.W.
Deposit date:2013-06-28
Release date:2014-01-15
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structure and mechanism of a type III secretion protease, NleC
Acta Crystallogr.,Sect.D, 70, 2014
4LGJ
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BU of 4lgj by Molmil
Crystal structure and mechanism of a type III secretion protease
Descriptor: Uncharacterized protein, ZINC ION
Authors:Li, W.Q, Liu, Y.X, Sheng, X.L, Yan, C.Y, Wang, J.W.
Deposit date:2013-06-28
Release date:2014-01-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure and mechanism of a type III secretion protease, NleC
Acta Crystallogr.,Sect.D, 70, 2014
3C7K
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BU of 3c7k by Molmil
Molecular architecture of Galphao and the structural basis for RGS16-mediated deactivation
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(o) subunit alpha, MAGNESIUM ION, ...
Authors:Slep, K.C, Kercher, M.A, Wieland, T, Chen, C, Simon, M.I, Sigler, P.B.
Deposit date:2008-02-07
Release date:2008-05-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular architecture of G{alpha}o and the structural basis for RGS16-mediated deactivation.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3C7L
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BU of 3c7l by Molmil
Molecular architecture of Galphao and the structural basis for RGS16-mediated deactivation
Descriptor: Regulator of G-protein signaling 16
Authors:Slep, K.C, Kercher, M.A, Wieland, T, Chen, C, Simon, M.I, Sigler, P.B.
Deposit date:2008-02-07
Release date:2008-05-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Molecular architecture of G{alpha}o and the structural basis for RGS16-mediated deactivation.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4N2Q
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BU of 4n2q by Molmil
Crystal structure of THA8 in complex with Zm4 RNA
Descriptor: RNA (5'-R(*AP*AP*GP*AP*AP*GP*AP*AP*AP*UP*UP*GP*G)-3'), THA8 RNA binding protein
Authors:Ke, J, Chen, R.Z, Ban, T, Zhou, X.E, Gu, X, Brunzelle, J.S, Zhu, J.K, Melcher, K, Xu, H.E.
Deposit date:2013-10-06
Release date:2013-10-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for RNA recognition by a dimeric PPR-protein complex.
Nat.Struct.Mol.Biol., 20, 2013
4N2S
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BU of 4n2s by Molmil
Crystal Structure of THA8 in complex with Zm1a-6 RNA
Descriptor: THA8 RNA binding protein, Zm1a-6 RNA
Authors:Ke, J, Chen, R.Z, Ban, T, Zhou, X.E, Gu, X, Brunzelle, J.S, Zhu, J.K, Melcher, K, Xu, H.E.
Deposit date:2013-10-06
Release date:2013-10-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for RNA recognition by a dimeric PPR-protein complex.
Nat.Struct.Mol.Biol., 20, 2013
1H65
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BU of 1h65 by Molmil
Crystal structure of pea Toc34 - a novel GTPase of the chloroplast protein translocon
Descriptor: CHLOROPLAST OUTER ENVELOPE PROTEIN OEP34, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Sun, Y.J, Forouhar, F, Li, H.M, Tu, S.L, Kao, S, Shr, H.L, Chou, C.C, Hsiao, C.D.
Deposit date:2001-06-06
Release date:2002-01-29
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Pea Toc34 - a Novel Gtpase of the Chloroplast Protein Translocon
Nat.Struct.Biol., 9, 2002
1HEV
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BU of 1hev by Molmil
HEVEIN: THE NMR ASSIGNMENT AND AN ASSESSMENT OF SOLUTION-STATE FOLDING FOR THE AGGLUTININ-TOXIN MOTIF
Descriptor: HEVEIN
Authors:Andersen, N.H, Cao, B.
Deposit date:1993-01-14
Release date:1994-01-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Hevein: NMR assignment and assessment of solution-state folding for the agglutinin-toxin motif.
Biochemistry, 32, 1993
8YZ7
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BU of 8yz7 by Molmil
Crystal structure of DdrI, a CRP family protein from Deinococcus radiodurans
Descriptor: POTASSIUM ION, Transcriptional regulator, FNR/CRP family
Authors:Zhao, Y, Wang, Y.
Deposit date:2024-04-06
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:cAMP-independent DNA binding of the CRP family protein DdrI from Deinococcus radiodurans.
Mbio, 2024
4OA7
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BU of 4oa7 by Molmil
Crystal structure of Tankyrase1 in complex with IWR1
Descriptor: 4-[(3aR,4R,7S,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-1, ZINC ION
Authors:Zhang, X, He, H.
Deposit date:2014-01-03
Release date:2015-01-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Disruption of Wnt/ beta-Catenin Signaling and Telomeric Shortening Are Inextricable Consequences of Tankyrase Inhibition in Human Cells.
Mol.Cell.Biol., 35, 2015
5J39
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BU of 5j39 by Molmil
Crystal Structure of the extended TUDOR domain from TDRD2
Descriptor: CACODYLATE ION, Tudor and KH domain-containing protein, UNKNOWN ATOM OR ION
Authors:Zhang, H, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2016-03-30
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for arginine methylation-independent recognition of PIWIL1 by TDRD2.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6J3O
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BU of 6j3o by Molmil
Crystal structure of the human PCAF bromodomain in complex with compound 12
Descriptor: 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2B
Authors:Huang, L.Y, Li, H, Li, L.L, Niu, L, Seupel, R, Wu, C.Y, Li, G.B, Yu, Y.M, Brennan, P.E, Yang, S.Y.
Deposit date:2019-01-05
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
6J3P
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BU of 6j3p by Molmil
Crystal structure of the human GCN5 bromodomain in complex with compound (R,R)-36n
Descriptor: 2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2A
Authors:Huang, L.Y, Li, H, Niu, L, Wu, C.Y, Yu, Y.M, Li, L.L, Yang, S.Y.
Deposit date:2019-01-05
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
5GNK
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BU of 5gnk by Molmil
Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34
Descriptor: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ...
Authors:Yan, X.E, Yun, C.H.
Deposit date:2016-07-21
Release date:2017-04-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.
J. Med. Chem., 60, 2017
5GTY
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BU of 5gty by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26
Descriptor: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor
Authors:Yan, X.E, Yun, C.H.
Deposit date:2016-08-23
Release date:2017-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode.
Oncotarget, 8, 2017
5ZXD
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BU of 5zxd by Molmil
Crystal structure of ATP-bound human ABCF1
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family F member 1
Authors:Qu, L, Jiang, Y, Liu, Z.J.
Deposit date:2018-05-18
Release date:2018-07-25
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:Crystal Structure of ATP-Bound Human ABCF1 Demonstrates a Unique Conformation of ABC Proteins
Structure, 26, 2018
8IL3
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BU of 8il3 by Molmil
Cryo-EM structure of CD38 in complex with FTL004
Descriptor: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Heavy chain, Light chain
Authors:Yang, J, Wang, Y, Zhang, G.
Deposit date:2023-03-01
Release date:2023-03-29
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:FTL004, an anti-CD38 mAb with negligible RBC binding and enhanced pro-apoptotic activity, is a novel candidate for treatments of multiple myeloma and non-Hodgkin lymphoma.
J Hematol Oncol, 15, 2022
4AE0
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BU of 4ae0 by Molmil
Crystal structure of diphtheria toxin mutant CRM197
Descriptor: DIPHTHERIA TOXIN
Authors:Malito, E, Spraggon, G.
Deposit date:2012-01-04
Release date:2012-03-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Structural Basis for Lack of Toxicity of the Diphtheria Toxin Mutant Crm197.
Proc.Natl.Acad.Sci.USA, 109, 2012
7JKS
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BU of 7jks by Molmil
Crystal structure of vaccine-elicited broadly neutralizing VRC01-class antibody 2411a in complex with HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 gp120 core, The heavy chain of antibody 2411a, ...
Authors:Zhou, T, Chen, X, Kwong, P.D, Mascola, J.R.
Deposit date:2020-07-28
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Vaccination induces maturation in a mouse model of diverse unmutated VRC01-class precursors to HIV-neutralizing antibodies with >50% breadth.
Immunity, 54, 2021
7JKT
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BU of 7jkt by Molmil
Crystal structure of vaccine-elicited broadly neutralizing VRC01-class antibody 2413a in complex with HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core from strain d45-01dG5, ...
Authors:Zhou, T, Chen, X, Kwong, P.D, Mascola, J.R.
Deposit date:2020-07-28
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Vaccination induces maturation in a mouse model of diverse unmutated VRC01-class precursors to HIV-neutralizing antibodies with >50% breadth.
Immunity, 54, 2021
6EET
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BU of 6eet by Molmil
Crystal structure of mouse Protocadherin-15 EC9-MAD12
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Narui, Y, Sotomayor, M.
Deposit date:2018-08-15
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Structural determinants of protocadherin-15 mechanics and function in hearing and balance perception.
Proc.Natl.Acad.Sci.USA, 2020

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