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8ECZ
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BU of 8ecz by Molmil
Bovine Fab 4C1
Descriptor: 4C1 Fab heavy chain, 4C1 Fab light chain, PHOSPHATE ION
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2022-09-02
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ECV
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BU of 8ecv by Molmil
Bovine Fab 2F12
Descriptor: 2F12 Fab Heavy chain, 2F12 Fab Light chain
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2022-09-02
Release date:2023-09-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ED1
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BU of 8ed1 by Molmil
Bovine Fab 5C1
Descriptor: 5C1 Fab heavy chain, 5C1 Fab light chain, GLYCEROL, ...
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2022-09-02
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ECQ
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BU of 8ecq by Molmil
Bovine Fab 2G3
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2G3 Fab Heavy chain, 2G3 Fab Light chain, ...
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2022-09-02
Release date:2023-09-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
6VLY
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BU of 6vly by Molmil
Crystal structure of FabI-NADH complex from Alistipes finegoldii
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Radka, C.D, Seetharaman, J, Rock, C.O.
Deposit date:2020-01-27
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The genome of a Bacteroidetes inhabitant of the human gut encodes a structurally distinct enoyl-acyl carrier protein reductase (FabI).
J.Biol.Chem., 295, 2020
6VLX
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BU of 6vlx by Molmil
Crystal structure of FabI from Alistipes finegoldii
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL
Authors:Radka, C.D, Seetharaman, J, Rock, C.O.
Deposit date:2020-01-27
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The genome of a Bacteroidetes inhabitant of the human gut encodes a structurally distinct enoyl-acyl carrier protein reductase (FabI).
J.Biol.Chem., 295, 2020
4WVO
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BU of 4wvo by Molmil
An engineered PYR1 mandipropamid receptor in complex with mandipropamid and HAB1
Descriptor: (2S)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide, Abscisic acid receptor PYR1, MAGNESIUM ION, ...
Authors:Peterson, F.C, Volkman, B.F, Cutler, S.R.
Deposit date:2014-11-06
Release date:2015-02-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Agrochemical control of plant water use using engineered abscisic acid receptors.
Nature, 520, 2015
6IP2
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BU of 6ip2 by Molmil
NSF-D1D2 part in the whole 20S complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Vesicle-fusing ATPase
Authors:Huang, X, Sun, S, Wang, X, Fan, F, Zhou, Q, Sui, S.F.
Deposit date:2018-11-01
Release date:2019-04-24
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Mechanistic insights into the SNARE complex disassembly.
Sci Adv, 5, 2019
3KRY
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BU of 3kry by Molmil
Crystal structure of MMP-13 in complex with SC-78080
Descriptor: 1-(2-methoxyethyl)-N-oxo-4-({4-[4-(trifluoromethoxy)phenoxy]phenyl}sulfonyl)piperidine-4-carboxamide, CALCIUM ION, Collagenase 3, ...
Authors:Kiefer, J.R, Williams, J.M, Becker, D.P.
Deposit date:2009-11-19
Release date:2010-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Orally-active MMP-1 sparing alpha-tetrahydropyranyl and alpha-piperidinyl sulfone matrix metalloproteinase (MMP) inhibitors with efficacy in cancer, arthritis, and cardiovascular disease
J.Med.Chem., 53, 2010
6IP1
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BU of 6ip1 by Molmil
alpha-SNAP-SNARE subcomplex in the whole 20S complex
Descriptor: Alpha-soluble NSF attachment protein, Synaptosomal-associated protein 25, Syntaxin-1A, ...
Authors:Huang, X, Sun, S, Wang, X, Fan, F, Zhou, Q, Sui, S.F.
Deposit date:2018-11-01
Release date:2019-04-24
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Mechanistic insights into the SNARE complex disassembly.
Sci Adv, 5, 2019
7AER
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BU of 7aer by Molmil
Rebuilt and re-refined PDB entry 5yep: tri-AMPylated Shewanella oneidensis HEPN toxin in complex with MNT antitoxin
Descriptor: ADENOSINE MONOPHOSPHATE, Toxin-antitoxin system antidote Mnt family, Toxin-antitoxin system toxin HepN family
Authors:Tamulaitiene, G, Sasnauskas, G, Songailiene, I, Juozapaitis, J, Siksnys, V.
Deposit date:2020-09-18
Release date:2020-12-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:HEPN-MNT Toxin-Antitoxin System: The HEPN Ribonuclease Is Neutralized by OligoAMPylation.
Mol.Cell, 80, 2020
7K9Y
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BU of 7k9y by Molmil
GsI-IIC RT Template-Switching Complex (twinned)
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*TP*CP*CP*AP*GP*GP*CP*AP*AP*C)-3'), MAGNESIUM ION, ...
Authors:Stamos, J.L, Lentzsch, A.M.
Deposit date:2020-09-29
Release date:2021-08-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for template switching by a group II intron-encoded non-LTR-retroelement reverse transcriptase.
J.Biol.Chem., 297, 2021
4YZ6
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BU of 4yz6 by Molmil
Crystal Structure of Myc3[44-238] from Arabidopsis in complex with Jaz1 peptide [200-221]
Descriptor: Protein TIFY 10A, Transcription factor MYC3
Authors:Ke, J, Zhang, F, Brunzelle, J, Xu, H.E, Melcher, K, HE, S.Y.
Deposit date:2015-03-24
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling.
Nature, 525, 2015
7YQE
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BU of 7yqe by Molmil
Structure of human SRC regulatory domains in complex with the C-terminal PRRP motifs of GPR54.
Descriptor: Proto-oncogene tyrosine-protein kinase Src,KiSS-1 receptor
Authors:Song, G, Xu, S.
Deposit date:2022-08-06
Release date:2023-08-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Kisspeptin-10 binding to Gpr54 in osteoclasts prevents bone loss by activating Dusp18-mediated dephosphorylation of Src.
Nat Commun, 15, 2024
4YWC
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BU of 4ywc by Molmil
Crystal structure of Myc3(5-242) fragment in complex with Jaz9(218-239) peptide
Descriptor: Protein TIFY 7, Transcription factor MYC3
Authors:Ke, J, Zhang, F, Brunzelle, J.S, Xu, H.E, Melcher, K, He, S.Y.
Deposit date:2015-03-20
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling.
Nature, 525, 2015
8HIT
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BU of 8hit by Molmil
Crystal structure of anti-CTLA-4 humanized IgG1 MAb--JS007 in complex with human CTLA-4
Descriptor: Cytotoxic T-lymphocyte protein 4, JS007-VH, JS007-VL
Authors:Tan, S, Shi, Y, Wang, Q, Gao, G.F, Guan, J, Chai, Y, Qi, J.
Deposit date:2022-11-21
Release date:2023-02-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Characterization of the high-affinity anti-CTLA-4 monoclonal antibody JS007 for immune checkpoint therapy of cancer.
Mabs, 15, 2023
2MJV
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BU of 2mjv by Molmil
Solution structures of second bromodomain of Brd4 with di-acetylated Twist peptide
Descriptor: Bromodomain-containing protein 4, Twist-related protein 1
Authors:Zeng, L, Zhou, M.
Deposit date:2014-01-16
Release date:2014-03-19
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Disrupting the Interaction of BRD4 with Diacetylated Twist Suppresses Tumorigenesis in Basal-like Breast Cancer.
Cancer Cell, 25, 2014
5KQD
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BU of 5kqd by Molmil
PANK3:Palmitoyl-CoA complex
Descriptor: Palmitoyl-CoA, Pantothenate kinase 3, SULFATE ION
Authors:White, S.W, Yun, M.
Deposit date:2016-07-06
Release date:2016-08-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosteric Regulation of Mammalian Pantothenate Kinase.
J.Biol.Chem., 291, 2016
5KPR
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BU of 5kpr by Molmil
PANK3-AMPPNP-Pantothenate complex
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PANTOTHENOIC ACID, ...
Authors:White, S.W, Yun, M.
Deposit date:2016-07-05
Release date:2016-08-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.827 Å)
Cite:Allosteric Regulation of Mammalian Pantothenate Kinase.
J.Biol.Chem., 291, 2016
5KQ8
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BU of 5kq8 by Molmil
PANK3-AMPPN complex
Descriptor: 1,2-ETHANEDIOL, AMP PHOSPHORAMIDATE, MAGNESIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2016-07-05
Release date:2016-08-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Allosteric Regulation of Mammalian Pantothenate Kinase.
J.Biol.Chem., 291, 2016
5KPT
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BU of 5kpt by Molmil
PANK3-AMPPNP complex
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:White, S.W, Yun, M.
Deposit date:2016-07-05
Release date:2016-08-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Allosteric Regulation of Mammalian Pantothenate Kinase.
J.Biol.Chem., 291, 2016
5KPZ
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BU of 5kpz by Molmil
PANK3-ADP-PhosphoPantothenate complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine, ...
Authors:White, S.W, Yun, M.
Deposit date:2016-07-05
Release date:2016-08-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Allosteric Regulation of Mammalian Pantothenate Kinase.
J.Biol.Chem., 291, 2016
5VZ3
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BU of 5vz3 by Molmil
Growth Factor Crystal Structure at 1.97 Angstrom Resolution
Descriptor: Growth/differentiation factor 15
Authors:Lakshminarasimhan, D, White, A, Suto, R.K.
Deposit date:2017-05-26
Release date:2017-09-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Non-homeostatic body weight regulation through a brainstem-restricted receptor for GDF15.
Nature, 550, 2017
5VZ4
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BU of 5vz4 by Molmil
Receptor-growth factor crystal structure at 2.20 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, GDNF family receptor alpha-like, ...
Authors:Lakshminarasimhan, D, White, A, Suto, R.K.
Deposit date:2017-05-26
Release date:2017-09-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Non-homeostatic body weight regulation through a brainstem-restricted receptor for GDF15.
Nature, 550, 2017
7F65
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BU of 7f65 by Molmil
Bacetrial Cocaine Esterase with mutations T172R/G173Q/V116K/S117A/A51L, bound to benzoic acid
Descriptor: BENZOIC ACID, Cocaine esterase, SULFATE ION
Authors:Ouyang, P.F, Zhang, Y, Tong, J.
Deposit date:2021-06-24
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Computational Design and Crystal Structure of a Highly Efficient Benzoylecgonine Hydrolase.
Angew.Chem.Int.Ed.Engl., 60, 2021

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