1XQF
 
 | | The mechanism of ammonia transport based on the crystal structure of AmtB of E. coli. | | Descriptor: | ACETATE ION, Probable ammonium transporter, SULFATE ION | | Authors: | Zheng, L, Kostrewa, D, Berneche, S, Winkler, F.K, Li, X.-D. | | Deposit date: | 2004-10-12 | | Release date: | 2004-10-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The mechanism of ammonia transport based on the crystal structure of AmtB of Escherichia coli
Proc.Natl.Acad.Sci.USA, 101, 2004
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1N06
 | | Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PUTATIVE riboflavin kinase | | Authors: | Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S. | | Deposit date: | 2002-10-11 | | Release date: | 2003-02-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003
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6T9G
 | | CRYSTAL STRUCTURE OF AN ENDOGLUCANASE D213A FROM PENICILLIUM VERRUCULOSUM | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoglucanase | | Authors: | Nemashkalov, V, Kravchenko, O, Gabdulkhakov, A, Tischenko, S, Rozhkova, A, Sinitsyn, A. | | Deposit date: | 2019-10-28 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.29620671 Å) | | Cite: | CRYSTAL STRUCTURE OF AN ENDOGLUCANASE D213A FROM PENICILLIUM VERRUCULOSUM
To Be Published
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1N08
 | | Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ZINC ION, putative riboflavin kinase | | Authors: | Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S. | | Deposit date: | 2002-10-11 | | Release date: | 2003-02-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003
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1N07
 | | Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, PUTATIVE riboflavin kinase | | Authors: | Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S. | | Deposit date: | 2002-10-11 | | Release date: | 2003-02-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003
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1N05
 | | Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold | | Descriptor: | putative Riboflavin kinase | | Authors: | Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S. | | Deposit date: | 2002-10-11 | | Release date: | 2003-02-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003
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4LZX
 | | Complex of IQCG and Ca2+-free CaM | | Descriptor: | Calmodulin, IQ domain-containing protein G, SULFATE ION | | Authors: | Liang, W.X, Chen, L.T, Chen, Z, Chen, S.J, Chen, S. | | Deposit date: | 2013-08-01 | | Release date: | 2014-05-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Functional and molecular features of the calmodulin-interacting protein IQCG required for haematopoiesis in zebrafish
Nat Commun, 5, 2014
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5C1Y
 | | Crystal structure of EV71 3C Proteinase in complex with Compound 1 | | Descriptor: | 3C proteinase, propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate | | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | | Deposit date: | 2015-06-15 | | Release date: | 2016-06-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
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5C20
 | | Crystal structure of EV71 3C Proteinase in complex with Compound 2 | | Descriptor: | 2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase | | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | | Deposit date: | 2015-06-15 | | Release date: | 2016-06-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
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5XUK
 | | Crystal structure of Helicobacter pylori holo-[acyl-carrier-protein] synthase (AcpS) in complex with coenzyme A | | Descriptor: | COENZYME A, Holo-[acyl-carrier-protein] synthase | | Authors: | Liao, Y.P, Wang, D.L, Yin, D.P, Zhang, Q.Y, Wang, Y.M, Wang, D.Q, Zhu, H.X, Chen, S. | | Deposit date: | 2017-06-23 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of acyl carrier protein synthases (AcpS) from three Gram-negative bacteria
To Be Published
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5C1U
 | | Crystal structure of EV71 3C Proteinase in complex with Compound Xb | | Descriptor: | (2S)-2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide, 3C proteinase | | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | | Deposit date: | 2015-06-15 | | Release date: | 2016-06-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
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5XU7
 | | Crystal structure of Escherichia coli holo-[acyl-carrier-protein] synthase (AcpS) | | Descriptor: | CHLORIDE ION, GLYCEROL, Holo-[acyl-carrier-protein] synthase | | Authors: | Liao, Y.P, Wang, D.L, Yin, D.P, Zhang, Q.Y, Wang, Y.M, Wang, D.Q, Zhu, H.X, Chen, S. | | Deposit date: | 2017-06-22 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystal structures of acyl carrier protein synthases (AcpS) from three Gram-negative bacteria
To Be Published
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5T62
 | | Nmd3 is a structural mimic of eIF5A, and activates the cpGTPase Lsg1 during 60S ribosome biogenesis: 60S-Nmd3-Tif6-Lsg1 Complex | | Descriptor: | 25S Ribosomal RNA, 5.8S Ribosomal RNA, 5S Ribosomal RNA, ... | | Authors: | Malyutin, A.G, Musalgaonkar, S, Patchett, S, Frank, J, Johnson, A.W. | | Deposit date: | 2016-09-01 | | Release date: | 2017-02-08 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Nmd3 is a structural mimic of eIF5A, and activates the cpGTPase Lsg1 during 60S ribosome biogenesis.
EMBO J., 36, 2017
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5C1X
 | | Crystal structure of EV71 3C Proteinase in complex with Compound VIII | | Descriptor: | (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase | | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | | Deposit date: | 2015-06-15 | | Release date: | 2016-06-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
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5XUH
 | | Crystal structure of Escherichia coli holo-[acyl-carrier-protein] synthase (AcpS) D9A mutant in complex with CoA | | Descriptor: | CHLORIDE ION, COENZYME A, GLYCEROL, ... | | Authors: | Liao, Y.P, Wang, D.L, Yin, D.P, Zhang, Q.Y, Wang, Y.M, Wang, D.Q, Zhu, H.X, Chen, S. | | Deposit date: | 2017-06-23 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Crystal structures of acyl carrier protein synthases (AcpS) from three Gram-negative bacteria
To Be Published
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5XUM
 | | Crystal structure of Thermotoga maritima holo-[acyl-carrier-protein] synthase (AcpS) | | Descriptor: | GLYCEROL, Holo-[acyl-carrier-protein] synthase | | Authors: | Liao, Y.P, Wang, D.L, Yin, D.P, Zhang, Q.Y, Wang, Y.M, Wang, D.Q, Zhu, H.X, Chen, S. | | Deposit date: | 2017-06-23 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of acyl carrier protein synthases (AcpS) from three Gram-negative bacteria
To Be Published
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5X87
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5T6R
 | | Nmd3 is a structural mimic of eIF5A, and activates the cpGTPase Lsg1 during 60S ribosome biogenesis: 60S-Nmd3 Complex | | Descriptor: | 25S Ribosomal RNA, 5.8S Ribosomal RNA, 5S Ribosomal RNA, ... | | Authors: | Malyutin, A.G, Musalgaonkar, S, Patchett, S, Frank, J, Johnson, A.W. | | Deposit date: | 2016-09-01 | | Release date: | 2017-02-08 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Nmd3 is a structural mimic of eIF5A, and activates the cpGTPase Lsg1 during 60S ribosome biogenesis.
EMBO J., 36, 2017
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8WJY
 | | PKMYT1_Cocrystal_Cpd 4 | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | | Authors: | Wang, Y, Wang, C, Liu, T, Qi, H, Chen, S, Cai, X, Zhang, M, Aliper, A, Ren, F, Ding, X, Zhavoronkov, A. | | Deposit date: | 2023-09-26 | | Release date: | 2023-11-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Discovery of Tetrahydropyrazolopyrazine Derivatives as Potent and Selective MYT1 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 67, 2024
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4M1L
 | | Complex of IQCG and Ca2+-bound CaM | | Descriptor: | CALCIUM ION, Calmodulin, IQ domain-containing protein G, ... | | Authors: | Liang, W.X, Chen, L.T, Chen, Z, Chen, S.J, Chen, S. | | Deposit date: | 2013-08-03 | | Release date: | 2014-05-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Functional and molecular features of the calmodulin-interacting protein IQCG required for haematopoiesis in zebrafish
Nat Commun, 5, 2014
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4NFT
 | | Crystal structure of human lnkH2B-h2A.Z-Anp32e | | Descriptor: | Acidic leucine-rich nuclear phosphoprotein 32 family member E, Histone H2B type 2-E, Histone H2A.Z | | Authors: | Shan, S, Pan, L, Mao, Z, Wang, W, Sun, J, Dong, Q, Liang, X, Ding, X, Chen, S, Dai, L, Zhang, Z, Zhu, B, Zhou, Z. | | Deposit date: | 2013-11-01 | | Release date: | 2014-04-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Anp32e, a higher eukaryotic histone chaperone directs preferential recognition for H2A.Z
Cell Res., 24, 2014
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6KEE
 | | Crystal structure of BRD4 Bromodomain1 with an inhibitor | | Descriptor: | 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one, Bromodomain-containing protein 4 | | Authors: | Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C. | | Deposit date: | 2019-07-04 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.12154651 Å) | | Cite: | Crystal structure of BRD4 Bromodomain1 with an inhibitor
To be published
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6KEG
 | | BRD4 Bromodomain1 with an inhibitor | | Descriptor: | 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4H-pyrrolo[1,2-a]pyrazin-1-one, Bromodomain-containing protein 4 | | Authors: | Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C. | | Deposit date: | 2019-07-04 | | Release date: | 2020-07-08 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.232 Å) | | Cite: | BRD4 Bromodomain1 with an inhibitor
To Be Published
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7S25
 | | ROCK1 IN COMPLEX WITH LIGAND G4998 | | Descriptor: | 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide, CHLORIDE ION, Rho-associated protein kinase 1 | | Authors: | Ganichkin, O, Harris, S.F, Steinbacher, S. | | Deposit date: | 2021-09-03 | | Release date: | 2022-10-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.337 Å) | | Cite: | Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors.
Nat Commun, 13, 2022
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7S26
 | | ROCK1 IN COMPLEX WITH LIGAND G5018 | | Descriptor: | 2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Rho-associated protein kinase 1 | | Authors: | Ganichkin, O, Harris, S.F, Steinbacher, S. | | Deposit date: | 2021-09-03 | | Release date: | 2022-10-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.744 Å) | | Cite: | Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors.
Nat Commun, 13, 2022
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