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4DSZ
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BU of 4dsz by Molmil
Crystal Structure of DPP-IV with Compound C2
Descriptor: (2R)-4-[4-(3-methylphenyl)-1H-1,2,3-triazol-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine, Dipeptidyl peptidase 4
Authors:Xiong, B, Zhu, L.R, Chen, D.Q, Zhao, Y.L, Jiang, F, Shen, J.K.
Deposit date:2012-02-20
Release date:2013-02-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structure of DPP-IV with Compound C2
To be Published
4CMP
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BU of 4cmp by Molmil
Crystal structure of S. pyogenes Cas9
Descriptor: CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, SULFATE ION
Authors:Jinek, M, Jiang, F, Taylor, D.W, Sternberg, S.H, Kaya, E, Ma, E, Anders, C, Hauer, M, Zhou, K, Lin, S, Kaplan, M, Iavarone, A.T, Charpentier, E, Nogales, E, Doudna, J.A.
Deposit date:2014-01-16
Release date:2014-02-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structures of Cas9 Endonucleases Reveal RNA-Mediated Conformational Activation.
Science, 343, 2014
4DSA
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BU of 4dsa by Molmil
Crystal Structure of DPP-IV with Compound C1
Descriptor: 4-[({[(2R)-2-amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide, Dipeptidyl peptidase 4
Authors:Xiong, B, Zhu, L.R, Chen, D.Q, Zhao, Y.L, Jiang, F, Shen, J.K.
Deposit date:2012-02-18
Release date:2013-02-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Crystal Structure of DPP-IV with Compound C1
To be Published
5GGZ
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BU of 5ggz by Molmil
Crystal structure of novel inhibitor bound with Hsp90
Descriptor: Heat shock protein HSP 90-alpha, [2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone
Authors:Chen, T.T, Li, J, Xu, Y.C.
Deposit date:2016-06-16
Release date:2017-03-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.015 Å)
Cite:Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90
J. Med. Chem., 59, 2016
3MON
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BU of 3mon by Molmil
CRYSTAL STRUCTURES OF TWO INTENSELY SWEET PROTEINS
Descriptor: MONELLIN
Authors:Jiang, F, Tong, L, Kim, S.-H.
Deposit date:1992-08-26
Release date:1993-10-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of two intensely sweet proteins.
Trends Biochem.Sci., 13, 1988
8WRH
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BU of 8wrh by Molmil
SARS-CoV-2 XBB.1.5.70 in complex with ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S2'
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-14
Release date:2023-11-29
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WRL
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BU of 8wrl by Molmil
XBB.1.5 RBD in complex with ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-15
Release date:2023-11-29
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WRM
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BU of 8wrm by Molmil
XBB.1.5 spike protein in complex with ACE2
Descriptor: Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-15
Release date:2023-12-06
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.34 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WTD
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BU of 8wtd by Molmil
XBB.1.5.10 RBD in complex with ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S2'
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-18
Release date:2023-12-13
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WRO
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BU of 8wro by Molmil
XBB.1.5.10 spike protein in complex with ACE2
Descriptor: Processed angiotensin-converting enzyme 2, Spike glycoprotein,Spike glycoprotein,Spike glycoprotein,Fusion protein
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-15
Release date:2023-12-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WTJ
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BU of 8wtj by Molmil
XBB.1.5.70 spike protein in complex with ACE2
Descriptor: Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-18
Release date:2023-12-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.64 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
7YTO
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BU of 7yto by Molmil
The Crystal Structure Analysis of Creatine Amidinohydrolase from Alcaligenes sp. KS-85
Descriptor: Creatine amidinohydrolase
Authors:Chen, R.S.
Deposit date:2022-08-15
Release date:2023-08-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Creatinase: Using Increased Entropy to Improve the Activity and Thermostability.
J.Phys.Chem.B, 127, 2023
5ZVL
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BU of 5zvl by Molmil
Crystal Structure of Wheat Glutarredoxin
Descriptor: Glutaredoxin
Authors:Hu, S.Q, Sun, X.M, Chen, M.R.
Deposit date:2018-05-11
Release date:2019-03-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.963 Å)
Cite:Crystal Structure of Wheat Glutaredoxin and Its Application in Improving the Processing Quality of Flour.
J. Agric. Food Chem., 66, 2018
1J4J
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BU of 1j4j by Molmil
Crystal Structure of Tabtoxin Resistance Protein (form II) complexed with an Acyl Coenzyme A
Descriptor: ACETYL COENZYME *A, TABTOXIN RESISTANCE PROTEIN
Authors:He, H, Ding, Y, Bartlam, M, Zhang, R, Duke, N, Joachimiak, A, Shao, Y, Cao, Z, Tang, H, Liu, Y, Jiang, F, Liu, J, Zhao, N, Rao, Z.
Deposit date:2001-10-02
Release date:2003-06-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of tabtoxin resistance protein complexed with acetyl coenzyme A reveals the mechanism for beta-lactam acetylation.
J.Mol.Biol., 325, 2003
4ZZJ
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BU of 4zzj by Molmil
SIRT1/Activator/Substrate Complex
Descriptor: (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, Ac-p53, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Dai, H.
Deposit date:2015-05-22
Release date:2015-07-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.7403 Å)
Cite:Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
4ZZH
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BU of 4zzh by Molmil
SIRT1/Activator Complex
Descriptor: (4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ZINC ION
Authors:Dai, H.
Deposit date:2015-05-22
Release date:2015-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.1001 Å)
Cite:Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
4ZZI
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BU of 4zzi by Molmil
SIRT1/Activator/Inhibitor Complex
Descriptor: (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ...
Authors:Dai, H.
Deposit date:2015-05-22
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7346 Å)
Cite:Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
7R8V
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BU of 7r8v by Molmil
Cryo-EM structure of the ADP state actin filament
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Gong, R, Espinosa de los Reyes, S, Reynolds, M.J, Gurel, P, Alushin, G.M.
Deposit date:2021-06-27
Release date:2021-07-28
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Structural basis for tunable control of actin dynamics by myosin-15 in mechanosensory stereocilia.
Sci Adv, 8, 2022
7RB9
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BU of 7rb9 by Molmil
Cryo-EM structure of the rigor state Jordan myosin-15-F-actin complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Gong, R, Reynolds, M.J, Gurel, P, Alushin, G.M.
Deposit date:2021-07-05
Release date:2021-07-28
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Structural basis for tunable control of actin dynamics by myosin-15 in mechanosensory stereocilia.
Sci Adv, 8, 2022
7R91
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BU of 7r91 by Molmil
cryo-EM structure of the rigor state wild type myosin-15-F-actin complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Gong, R, Reynolds, M.J, Gurel, P, Alushin, G.M.
Deposit date:2021-06-28
Release date:2021-07-28
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structural basis for tunable control of actin dynamics by myosin-15 in mechanosensory stereocilia.
Sci Adv, 8, 2022
7RB8
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BU of 7rb8 by Molmil
cryo-EM structure of the ADP state wild type myosin-15-F-actin complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Gong, R, Reynolds, M.J, Gurel, P, Alushin, G.M.
Deposit date:2021-07-05
Release date:2021-07-28
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (3.63 Å)
Cite:Structural basis for tunable control of actin dynamics by myosin-15 in mechanosensory stereocilia.
Sci Adv, 8, 2022
7X31
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BU of 7x31 by Molmil
solution structure of an anti-CRISPR protein
Descriptor: Anti-CRISPR protein (AcrIIC1)
Authors:Zhao, Y, Yang, F.
Deposit date:2022-02-27
Release date:2022-10-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A redox switch regulates the assembly and anti-CRISPR activity of AcrIIC1.
Nat Commun, 13, 2022
7X4B
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BU of 7x4b by Molmil
Crystal Structure of An Anti-CRISPR Protein
Descriptor: Anti-CRISPR protein (AcrIIC1), SULFATE ION
Authors:Hu, J, Zhang, S, Gao, J.Y, Liu, X, Liu, J.
Deposit date:2022-03-02
Release date:2022-10-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:A redox switch regulates the assembly and anti-CRISPR activity of AcrIIC1.
Nat Commun, 13, 2022
1GHD
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BU of 1ghd by Molmil
Crystal structure of the glutaryl-7-aminocephalosporanic acid acylase by mad phasing
Descriptor: GLUTARYL-7-AMINOCEPHALOSPORANIC ACID ACYLASE
Authors:Ding, Y, Jiang, W, Mao, X, He, H, Zhang, S, Tang, H, Bartlam, M, Ye, S, Jiang, F, Liu, Y, Zhao, G, Rao, Z.
Deposit date:2000-12-07
Release date:2003-07-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Affinity alkylation of the Trp-B4 residue of the beta -subunit of the glutaryl 7-aminocephalosporanic acid acylase of Pseudomonas sp. 130.
J.Biol.Chem., 277, 2002
7C53
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BU of 7c53 by Molmil
Crystal Structure of SARS-CoV-2 HR1 motif in complex with pan-CoVs inhibitor EK1
Descriptor: CALCIUM ION, Spike protein S2',pan-CoVs inhibitor EK1
Authors:Zhu, Y, Yang, X, Sun, F.
Deposit date:2020-05-19
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.278 Å)
Cite:Structural and functional basis for pan-CoV fusion inhibitors against SARS-CoV-2 and its variants with preclinical evaluation.
Signal Transduct Target Ther, 6, 2021

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