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8HCZ
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BU of 8hcz by Molmil
N-terminal domain structure of mycobacterium tuberculosis FadD23
Descriptor: Long-chain-fatty-acid--AMP ligase FadD23
Authors:Yan, M.R, Liu, X, Zhang, W, Rao, Z.H.
Deposit date:2022-11-03
Release date:2023-02-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms.
Front Microbiol, 14, 2023
5ZGP
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BU of 5zgp by Molmil
Crystal structure of NDM-1 at pH6.2 (Bis-Tris) in complex with hydrolyzed ampicillin
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGF
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BU of 5zgf by Molmil
Crystal structure of NDM-1 Q123G mutant
Descriptor: HYDROXIDE ION, Metallo-beta-lactamase type 2, ZINC ION
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-08
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGI
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BU of 5zgi by Molmil
Crystal structure of NDM-1 at pH6.5 (Succinate) with 1 molecule per asymmetric unit
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-09
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGX
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BU of 5zgx by Molmil
Crystal structure of NDM-1 at pH7.5 (Succinate) with 1 molecule per asymmetric unit
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGQ
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BU of 5zgq by Molmil
Crystal structure of NDM-1 at pH7.5 (Tris-HCl, (NH4)2SO4) in complex with hydrolyzed ampicillin
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGZ
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BU of 5zgz by Molmil
Crystal structure of NDM-1 at pH7.5 (Imidazole) with 1 molecule per asymmetric unit
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
7WRZ
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BU of 7wrz by Molmil
Local resolution of BD55-5840 Fab and SARS-COV2 Omicron RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5840H, BD55-5840L, ...
Authors:Zhang, Z.Z, Xiao, J.J.
Deposit date:2022-01-28
Release date:2022-06-22
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WRL
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BU of 7wrl by Molmil
Local structure of BD55-1239 Fab and SARS-COV2 Omicron RBD complex
Descriptor: BD55-1239H, BD55-1239L, Spike protein S1
Authors:Zhang, Z.Z, Xiao, J.J.
Deposit date:2022-01-27
Release date:2022-06-22
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WRO
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BU of 7wro by Molmil
Local structure of BD55-3372 and delta spike
Descriptor: 3372H, 3372L, Spike protein S1
Authors:Liu, P.L.
Deposit date:2022-01-27
Release date:2022-06-22
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WR8
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BU of 7wr8 by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P(B.1.1.529) in complex with BD55-3152 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-3152H, BD55-3152L, ...
Authors:Du, S, Xiao, J.Y.
Deposit date:2022-01-26
Release date:2022-06-22
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
5ZGY
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BU of 5zgy by Molmil
Crystal structure of NDM-1 at pH7.5 (Bis-Tris) with 1 molecule per asymmetric unit
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGW
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BU of 5zgw by Molmil
Crystal structure of NDM-1 at pH7.5 with 1 molecule per asymmetric unit (crystallized at succinate pH5.5 and soaked at succinate pH7.5)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, HYDROXIDE ION, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
3H2X
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BU of 3h2x by Molmil
Crystal Structure of The Human Lymphoid Tyrosine Phosphatase Catalytic Domain
Descriptor: PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 22
Authors:Tsai, S.J, Sen, U.
Deposit date:2009-04-14
Release date:2009-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the human lymphoid tyrosine phosphatase catalytic domain: insights into redox regulation .
Biochemistry, 48, 2009
3LC3
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BU of 3lc3 by Molmil
Benzothiophene Inhibitors of Factor IXa
Descriptor: 1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine, CALCIUM ION, Coagulation factor IX
Authors:Wang, S, Beck, R.
Deposit date:2010-01-09
Release date:2010-02-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Studies of Benzothiophene Template as Potent Factor IXa (FIXa) Inhibitors in Thrombosis.
J.Med.Chem., 53, 2010
3NK7
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BU of 3nk7 by Molmil
Structure of the Nosiheptide-resistance methyltransferase S-adenosyl-L-methionine Complex
Descriptor: 23S rRNA methyltransferase, S-ADENOSYLMETHIONINE
Authors:Yang, H, Wang, Z, Shen, Y, Wang, P, Murchie, A, Xu, Y.
Deposit date:2010-06-18
Release date:2010-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the Nosiheptide-Resistance Methyltransferase of Streptomyces actuosus
Biochemistry, 49, 2010
3NK6
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BU of 3nk6 by Molmil
Structure of the Nosiheptide-resistance methyltransferase
Descriptor: 23S rRNA methyltransferase
Authors:Yang, H, Wang, Z, Shen, Y, Wang, P, Murchie, A, Xu, Y.
Deposit date:2010-06-18
Release date:2010-07-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Nosiheptide-Resistance Methyltransferase of Streptomyces actuosus
Biochemistry, 49, 2010
3KE1
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BU of 3ke1 by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei in complex with a fragment-nucleoside fusion D000161829
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5'-deoxy-5'-[(pyridin-4-ylcarbonyl)amino]cytidine, POTASSIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-10-23
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Cytidine derivatives as IspF inhibitors of Burkolderia pseudomallei.
Bioorg.Med.Chem.Lett., 8, 2013
3O64
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BU of 3o64 by Molmil
Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Based Tartrate Diamides
Descriptor: (2R,3R)-2,3-dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide, CALCIUM ION, ISOPROPYL ALCOHOL, ...
Authors:Orth, P.
Deposit date:2010-07-28
Release date:2011-04-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:2-(2-Aminothiazol-4-yl)pyrrolidine-based tartrate diamides as potent, selective and orally bioavailable TACE inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
2HEP
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BU of 2hep by Molmil
Solution NMR structure of the UPF0291 protein ynzC from Bacillus subtilis. Northeast Structural Genomics target SR384.
Descriptor: UPF0291 protein ynzC
Authors:Aramini, J.M, Swapna, G.V.T, Ho, C.K, Shetty, K, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-06-21
Release date:2006-08-15
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution NMR structure of the SOS response protein YnzC from Bacillus subtilis
Proteins, 72, 2008
4ZUH
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BU of 4zuh by Molmil
Complex structure of PEDV 3CLpro mutant (C144A) with a peptide substrate.
Descriptor: PEDV 3C-Like protease, peptide substrate SAVLQSGF
Authors:Ye, G, Fu, Z.F, Peng, G.Q.
Deposit date:2015-05-16
Release date:2016-06-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Structural basis for the dimerization and substrate recognition specificity of porcine epidemic diarrhea virus 3C-like protease.
Virology, 494, 2016
3IKF
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BU of 3ikf by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 717, imidazo[2,,1-b][1,3]thiazol-6-ylmethanol
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ACETATE ION, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-08-05
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
3JVH
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BU of 3jvh by Molmil
Crystal structure of 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 8395
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5-[(pyridin-3-ylmethyl)amino]-1H-pyrazole-4-carboxamide, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-09-16
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
6DMQ
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BU of 6dmq by Molmil
Crystal structure of the T27A mutant of human alpha defensin HNP4.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Neutrophil defensin 4
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2018-06-05
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Systematic mutational analysis of human neutrophil alpha-defensin HNP4.
Biochim Biophys Acta Biomembr, 1861, 2019
6DRM
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BU of 6drm by Molmil
OTU domain of Fam105A
Descriptor: Inactive ubiquitin thioesterase FAM105A
Authors:Ceccarelli, D.F, Sicheri, F, Cordes, S.
Deposit date:2018-06-12
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:FAM105A/OTULINL Is a Pseudodeubiquitinase of the OTU-Class that Localizes to the ER Membrane.
Structure, 27, 2019

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PDB entries from 2024-06-19

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