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9GMS
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BU of 9gms by Molmil
Mtb PNPase Rv2783c
Descriptor: 1-[[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbonylamino]phenyl]phenyl]carbonylamino]cyclopentane-1-carboxylic acid, Polyribonucleotide nucleotidyltransferase, RNA (5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3')
Authors:Griesser, T, Sander, P.
Deposit date:2024-08-29
Release date:2025-06-25
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (1.98 Å)
Cite:Selective inhibition of Mycobacterium tuberculosis GpsI unveils a novel strategy to target the RNA metabolism.
Nucleic Acids Res., 53, 2025
3AYM
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BU of 3aym by Molmil
Crystal structure of the batho intermediate of squid rhodopsin
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, PALMITIC ACID, RETINAL, ...
Authors:Murakami, M, Kouyama, T.
Deposit date:2011-05-09
Release date:2011-08-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic Analysis of the Primary Photochemical Reaction of Squid Rhodopsin
J.Mol.Biol., 413, 2011
3AYN
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BU of 3ayn by Molmil
Crystal structure of squid isorhodopsin
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, PALMITIC ACID, RETINAL, ...
Authors:Murakami, M, Kouyama, T.
Deposit date:2011-05-09
Release date:2011-08-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystallographic Analysis of the Primary Photochemical Reaction of Squid Rhodopsin
J.Mol.Biol., 413, 2011
7TI9
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BU of 7ti9 by Molmil
Crystal structure of the ubiquitin-like domain 1 (Ubl1) of Nsp3 from SARS-CoV-2, form 2
Descriptor: CHLORIDE ION, GLYCEROL, Papain-like protease nsp3
Authors:Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-01-13
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Crystal structure of the ubiquitin-like domain 1 (Ubl1) of Nsp3 from SARS-CoV-2, form 2
To Be Published
1G29
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BU of 1g29 by Molmil
MALK
Descriptor: 1,4-DIETHYLENE DIOXIDE, AMMONIUM ION, CHLORIDE ION, ...
Authors:Diederichs, K, Diez, J, Greller, G, Mueller, C, Breed, J, Schnell, C, Vonrhein, C, Boos, W, Welte, W.
Deposit date:2000-10-18
Release date:2000-12-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of MalK, the ATPase subunit of the trehalose/maltose ABC transporter of the archaeon Thermococcus litoralis.
EMBO J., 19, 2000
9GMT
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BU of 9gmt by Molmil
Mtb PNPase Rv2783c Mutant L328F
Descriptor: 1-[[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbonylamino]phenyl]phenyl]carbonylamino]cyclopentane-1-carboxylic acid, Polyribonucleotide nucleotidyltransferase, RNA (5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3')
Authors:Griesser, T, Sander, P.
Deposit date:2024-08-29
Release date:2025-06-25
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (1.93 Å)
Cite:Selective inhibition of Mycobacterium tuberculosis GpsI unveils a novel strategy to target the RNA metabolism.
Nucleic Acids Res., 53, 2025
5MFQ
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BU of 5mfq by Molmil
Crystal structure of the GluK1 ligand-binding domain in complex with kainate and BPAM-344 at 1.90 A resolution
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, CHLORIDE ION, ...
Authors:Larsen, A.P, Frydenvang, K, Kastrup, J.S.
Deposit date:2016-11-18
Release date:2017-04-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification and Structure-Function Study of Positive Allosteric Modulators of Kainate Receptors.
Mol. Pharmacol., 91, 2017
7V0T
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BU of 7v0t by Molmil
Local refinement of Band 3-I cytoplasmic domains, class 1 of erythrocyte ankyrin-1 complex
Descriptor: Band 3 anion transport protein
Authors:Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
Deposit date:2022-05-11
Release date:2022-07-20
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
7V0Y
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BU of 7v0y by Molmil
Local refinement of Band 3-III cytoplasmic domains, class 1 of erythrocyte ankyrin-1 complex
Descriptor: Band 3 anion transport protein
Authors:Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
Deposit date:2022-05-11
Release date:2022-07-20
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
6M02
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BU of 6m02 by Molmil
cryo-EM structure of human Pannexin 1 channel
Descriptor: Pannexin-1
Authors:Ronggui, Q, Lili, D, Jilin, Z, Xuekui, Y, Lei, W, Shujia, Z.
Deposit date:2020-02-19
Release date:2020-03-25
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of human heptameric Pannexin 1 channel.
Cell Res., 30, 2020
7V0U
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BU of 7v0u by Molmil
Local refinement of Band 3-II cytoplasmic domains, class 1 of erythrocyte ankyrin-1 complex
Descriptor: Band 3 anion transport protein
Authors:Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
Deposit date:2022-05-11
Release date:2022-07-20
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
7YWT
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BU of 7ywt by Molmil
human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide
Descriptor: (11~{b}~{R})-4-oxidanylidene-~{N}-(4-sulfamoylphenyl)-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carboxamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-02-14
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.106 Å)
Cite:Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
2BEY
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BU of 2bey by Molmil
Solution Structure of a Novel C2 Symmetrical Bifunctional Bicyclic Inhibitor Based on SFTI-1
Descriptor: BIKK
Authors:Jaulent, A.M, Brauer, A.B.E, Matthews, S.J, Leatherbarrow, R.J.
Deposit date:2004-12-01
Release date:2005-10-17
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Solution Structure of a Novel C2-Symmetrical Bifunctional Bicyclic Inhibitor Based on Sfti-1
J.Biomol.NMR, 33, 2005
6JKA
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BU of 6jka by Molmil
Crystal structure of metallo-beta-lactamse, IMP-1, in complex with a thiazole-bearing inhibitor
Descriptor: 3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid, 6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one, Metallo-beta-lactamase type 2, ...
Authors:Kamo, T, Kuroda, K, Kondo, S, Hayashi, U, Fudo, S, Nukaga, M, Hoshino, T.
Deposit date:2019-02-28
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Identification of the Inhibitory Compounds for Metallo-beta-lactamases and Structural Analysis of the Binding Modes.
Chem Pharm Bull (Tokyo), 69, 2021
6MA3
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BU of 6ma3 by Molmil
Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 2a
Descriptor: 4-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}butanoic acid, Host Cell Factor 1 peptide, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
Authors:Martin, S.E.S, Lazarus, M.B, Walker, S.
Deposit date:2018-08-25
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
7E4C
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BU of 7e4c by Molmil
Crystal structure of MIF bound to compound11
Descriptor: 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol, CHLORIDE ION, Macrophage migration inhibitory factor, ...
Authors:Fan, C.P, Guo, D.Y, Yang, L.
Deposit date:2021-02-11
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.644 Å)
Cite:Identification and Structure-Activity Relationships of Dietary Flavonoids as Human Macrophage Migration Inhibitory Factor (MIF) Inhibitors.
J.Agric.Food Chem., 69, 2021
4NYN
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BU of 4nyn by Molmil
Crystal structure of RNase H1 from halophilic archaeon Halobacterium salinarum NRC-1
Descriptor: MANGANESE (II) ION, Ribonuclease HI
Authors:You, D.J, Angkawidjaja, C, Koga, Y, Kanaya, S.
Deposit date:2013-12-11
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystal structure of RNase H1 from halophilic archaeon Halobacterium salinarum NRC-1
To be Published
7YZH
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BU of 7yzh by Molmil
Schistosoma Mansoni Carbonic Anhydrase in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide, Carbonic anhydrase, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-02-20
Release date:2023-03-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
7EE8
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BU of 7ee8 by Molmil
The crystal structure of MIF bound to compound D5
Descriptor: 3-[(2R)-2-azanyl-1-oxidanyl-propyl]phenol, 3-[(2S)-2-azanyl-1-oxidanyl-propyl]phenol, CHLORIDE ION, ...
Authors:Fan, C.P, Guo, D.Y, Yang, L.
Deposit date:2021-03-17
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Repurposing old drugs as novel inhibitors of human MIF from structural and functional analysis.
Bioorg.Med.Chem.Lett., 55, 2022
8KCP
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BU of 8kcp by Molmil
Cryo-EM structure of human gamma-secretase in complex with Crenigacestat
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, X, Li, H, Kai, U, Yan, C, Lei, J, Zhou, R, Shi, Y.
Deposit date:2023-08-08
Release date:2024-08-14
Last modified:2025-07-23
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of human gamma-secretase inhibition by anticancer clinical compounds.
Nat.Struct.Mol.Biol., 32, 2025
8KCO
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BU of 8kco by Molmil
Cryo-EM structure of human gamma-secretase in complex with RO4929097
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, X, Li, H, Kai, U, Yan, C, Lei, J, Zhou, R, Shi, Y.
Deposit date:2023-08-08
Release date:2024-08-14
Last modified:2025-07-23
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis of human gamma-secretase inhibition by anticancer clinical compounds.
Nat.Struct.Mol.Biol., 32, 2025
3BHE
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BU of 3bhe by Molmil
HIV-1 protease in complex with a three armed pyrrolidine derivative
Descriptor: N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide, Protease
Authors:Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
Deposit date:2007-11-28
Release date:2008-12-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:HIV-1 protease in complex with a three armed pyrrolidine derivative
To be Published
3HMF
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BU of 3hmf by Molmil
Crystal Structure of the second Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Protein polybromo-1, ...
Authors:Filippakopoulos, P, Picaud, S, Keates, T, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-05-29
Release date:2009-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
7VOB
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BU of 7vob by Molmil
The crystal structure of a Radical SAM Enzyme BlsE involved in the Biosynthesis of Blasticidin S
Descriptor: CHLORIDE ION, Cytosylglucuronate decarboxylase, GLYCEROL, ...
Authors:Hou, X.L, Zhou, J.H.
Deposit date:2021-10-13
Release date:2022-05-04
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.092241 Å)
Cite:Radical S -Adenosyl Methionine Enzyme BlsE Catalyzes a Radical-Mediated 1,2-Diol Dehydration during the Biosynthesis of Blasticidin S.
J.Am.Chem.Soc., 144, 2022
5VRO
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BU of 5vro by Molmil
ABA-mimicking ligand AMF1beta in complex with ABA receptor PYL2 and PP2C HAB1
Descriptor: 1-(3-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ...
Authors:Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-L, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.X, Zhu, J.-K.
Deposit date:2017-05-11
Release date:2017-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.257 Å)
Cite:Combining chemical and genetic approaches to increase drought resistance in plants.
Nat Commun, 8, 2017

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数据于2025-10-08公开中

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