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5GGD
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BU of 5ggd by Molmil
Crystal structure of Mycobacterium smegmatis MutT1 in complex with phosphate and magnesium ions (excess magnesium, II)
Descriptor: Hydrolase, NUDIX family protein, MAGNESIUM ION, ...
Authors:Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M.
Deposit date:2016-06-15
Release date:2017-04-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association
Acta Crystallogr D Struct Biol, 73, 2017
3OIL
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BU of 3oil by Molmil
Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3-O-sulfamate
Descriptor: (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, ZINC ION
Authors:Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R.
Deposit date:2010-08-19
Release date:2011-07-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
5GTT
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BU of 5gtt by Molmil
Crystal structure of C. perfringens iota-like enterotoxin CPILE-a
Descriptor: 1,2-ETHANEDIOL, Binary enterotoxin of Clostridium perfringens component a
Authors:Toniti, W, Yoshida, T, Tsurumura, T, Irikura, D, Tsuge, H.
Deposit date:2016-08-23
Release date:2017-03-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Crystal structure and structure-based mutagenesis of actin-specific ADP-ribosylating toxin CPILE-a as novel enterotoxin
PLoS ONE, 12, 2017
3ONE
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BU of 3one by Molmil
Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with adenine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENINE, Adenosylhomocysteinase, ...
Authors:Brzezinski, K, Jaskolski, M.
Deposit date:2010-08-28
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
5GSV
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BU of 5gsv by Molmil
Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 142-5
Descriptor: 10-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
Authors:Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F.
Deposit date:2016-08-17
Release date:2017-04-26
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
8JBC
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BU of 8jbc by Molmil
Crystal Structure of the Csm6 K137A mutant from Thermus thermophilus HB8 in its apo form
Descriptor: CRISPR system endoribonuclease Csm6, NICKEL (II) ION
Authors:Lin, Z, Du, L.
Deposit date:2023-05-08
Release date:2023-12-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Molecular mechanism of allosteric activation of the CRISPR ribonuclease Csm6 by cyclic tetra-adenylate.
Embo J., 43, 2024
8JBB
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BU of 8jbb by Molmil
Crystal Structure of the Csm6 from Thermus thermophilus HB8 in complex with A2>p
Descriptor: CRISPR system endoribonuclease Csm6, RNA (5'-R(*AP*(A23))-3')
Authors:Lin, Z, Du, L.
Deposit date:2023-05-08
Release date:2023-12-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Molecular mechanism of allosteric activation of the CRISPR ribonuclease Csm6 by cyclic tetra-adenylate.
Embo J., 43, 2024
8JB7
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BU of 8jb7 by Molmil
Crystal structure of CMY-185
Descriptor: Beta-lactamase, SULFATE ION
Authors:Kawai, A, Doi, Y.
Deposit date:2023-05-08
Release date:2023-12-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185.
Mbio, 15, 2024
8JB8
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BU of 8jb8 by Molmil
Crystal structure of CMY-185 complex with ceftazidime
Descriptor: ACYLATED CEFTAZIDIME, Beta-lactamase
Authors:Kawai, A, Doi, Y.
Deposit date:2023-05-08
Release date:2023-12-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185.
Mbio, 15, 2024
6ZIQ
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BU of 6ziq by Molmil
bovine ATP synthase stator domain, state 1
Descriptor: ATP synthase F(0) complex subunit B1, mitochondrial, ATP synthase F(0) complex subunit C1, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-06-26
Release date:2020-09-09
Last modified:2020-09-30
Method:ELECTRON MICROSCOPY (4.33 Å)
Cite:Structure of the dimeric ATP synthase from bovine mitochondria.
Proc.Natl.Acad.Sci.USA, 117, 2020
1N5U
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BU of 1n5u by Molmil
X-RAY STUDY OF HUMAN SERUM ALBUMIN COMPLEXED WITH HEME
Descriptor: MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SERUM ALBUMIN
Authors:Wardell, M, Wang, Z, Ho, J.X, Robert, J, Ruker, F, Ruble, J, Carter, D.C.
Deposit date:2002-11-07
Release date:2003-06-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Atomic Structure of Human Methemalbumin at 1.9 A
Biochem.Biophys.Res.Commun., 291, 2002
8OJN
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BU of 8ojn by Molmil
Structure of the C-terminal beta helix domain of the Bdellovibrio bacteriovorus Bd3182 fibre
Descriptor: Cell wall surface anchor family protein
Authors:Caulton, S.G, Lovering, A.L.
Deposit date:2023-03-24
Release date:2023-10-25
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Bdellovibrio bacteriovorus uses chimeric fibre proteins to recognize and invade a broad range of bacterial hosts.
Nat Microbiol, 9, 2024
5FN5
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BU of 5fn5 by Molmil
Cryo-EM structure of gamma secretase in class 3 of the apo- state ensemble
Descriptor: Gamma-secretase subunit APH-1A, Gamma-secretase subunit PEN-2, Nicastrin, ...
Authors:Bai, X.C, Rajendra, E, Yang, G.H, Shi, Y.G, Scheres, S.H.W.
Deposit date:2015-11-10
Release date:2015-12-16
Last modified:2019-09-11
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Sampling the conformational space of the catalytic subunit of human gamma-secretase.
Elife, 4, 2015
6FKY
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BU of 6fky by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3-(benzylthio)succinyl-CPS1 peptide
Descriptor: (2~{R})-2-(phenylmethylsulfanyl)butanedioic acid, (2~{S})-2-(phenylmethylsulfanyl)butanedioic acid, 1,2-ETHANEDIOL, ...
Authors:Pannek, M, Steegborn, C.
Deposit date:2018-01-25
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Potent and Selective Inhibitors of Human Sirtuin 5.
J. Med. Chem., 61, 2018
6ZG7
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BU of 6zg7 by Molmil
bovine ATP synthase rotor domain, state 1
Descriptor: ATP synthase F(0) complex subunit C2, mitochondrial, ATP synthase subunit delta, ...
Authors:Spikes, T, Montgomery, M.G, Walker, J.E.
Deposit date:2020-06-18
Release date:2020-09-09
Last modified:2020-09-30
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structure of the dimeric ATP synthase from bovine mitochondria.
Proc.Natl.Acad.Sci.USA, 117, 2020
3OKV
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BU of 3okv by Molmil
Human Carbonic Anhydrase II A65S, N67Q (CA IX mimic) bound with 2-Ethylestrone 3-O-sulfamate
Descriptor: (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R.
Deposit date:2010-08-25
Release date:2011-07-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
6OEL
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BU of 6oel by Molmil
Engineered Fab bound to IL-4 receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, Interleukin-4 receptor subunit alpha, ...
Authors:Jude, K.M, Moraga, I, Spangler, J.B, Garcia, K.C.
Deposit date:2019-03-27
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A strategy for the selection of monovalent antibodies that span protein dimer interfaces.
J.Biol.Chem., 294, 2019
6XB4
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BU of 6xb4 by Molmil
Structure of PrGV poxin in post-reactive state with Gp[2'-5']Ap[3']
Descriptor: 2',5'-GpAp, Poxin
Authors:Eaglesham, J.B, McCarty, K.L, Kranzusch, P.J.
Deposit date:2020-06-05
Release date:2020-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of diverse poxin cGAMP nucleases reveal a widespread role for cGAS-STING evasion in host-pathogen conflict.
Elife, 9, 2020
8K2Y
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BU of 8k2y by Molmil
Crystal structure of MucD
Descriptor: serine endoprotease DegP-like protein MucD
Authors:Kim, J.H, Park, H.H.
Deposit date:2023-07-14
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure of MucD from Pseudomonas syringae revealed N-terminal loop-mediated trimerization of HtrA-like serine protease.
Biochem.Biophys.Res.Commun., 688, 2023
4H1E
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BU of 4h1e by Molmil
Structure of BACE-1 Bound to (7aR)-6-benzoyl-7a-(4-(3-cyanophenyl)thiophen-2-yl)-3-methyl-4-oxohexahydro-1H-pyrrolo[3,4-d]pyrimidin-2(3H)-iminium
Descriptor: 3-{5-[(2E,4aR,7aR)-6-benzoyl-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1
Authors:Orth, P.
Deposit date:2012-09-10
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
8KBW
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BU of 8kbw by Molmil
The crystal structure of syn-copalyl diphosphate synthase from Oryza sativa
Descriptor: Syn-copalyl diphosphate synthase, chloroplastic
Authors:Ma, X.L, Xu, H.F, Jiang, T.
Deposit date:2023-08-04
Release date:2023-12-06
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Structural and functional investigations of syn-copalyl diphosphate synthase from Oryza sativa.
Commun Chem, 6, 2023
6Z0W
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BU of 6z0w by Molmil
Crystal structure of the cytoplasmic domain of FlhB from Shewanella putrefaciens
Descriptor: Flagellar biosynthetic protein FlhB
Authors:Altegoer, F, Bange, G.
Deposit date:2020-05-11
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Proline-Rich Element in the Type III Secretion Protein FlhB Contributes to Flagellar Biogenesis in the Beta- and Gamma-Proteobacteria.
Front Microbiol, 11, 2020
5EIJ
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BU of 5eij by Molmil
Carbonic Anhydrase II in complex with Sulfonamide Inhibitor
Descriptor: 1-(3-iodanylphenyl)-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Lomelino, C.L, Mahon, B.P, McKenna, R.
Deposit date:2015-10-29
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Kinetic and X-ray crystallographic investigations on carbonic anhydrase isoforms I, II, IX and XII of a thioureido analog of SLC-0111.
Bioorg. Med. Chem., 24, 2016
2VEO
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BU of 2veo by Molmil
X-ray structure of Candida antarctica lipase A in its closed state.
Descriptor: GLYCEROL, LIPASE A, TETRAETHYLENE GLYCOL, ...
Authors:Ericsson, D.J, Kasrayan, A, Johansson, P, Bergfors, T, Sandstrom, A.G, Backvall, J.E, Mowbray, S.L.
Deposit date:2007-10-25
Release date:2007-11-06
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-Ray Structure of Candida Antarctica Lipase a Shows a Novel Lid Structure and a Likely Mode of Interfacial Activation.
J.Mol.Biol., 376, 2008
8IF2
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BU of 8if2 by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron BQ.1.1 variant spike protein in complex with its receptor ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Kimura, K, Suzuki, T, Hashiguchi, T.
Deposit date:2023-02-17
Release date:2023-05-17
Last modified:2023-05-24
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Convergent evolution of SARS-CoV-2 Omicron subvariants leading to the emergence of BQ.1.1 variant.
Nat Commun, 14, 2023

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PDB entries from 2024-08-14

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