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8RC9
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BU of 8rc9 by Molmil
W-formate dehydrogenase from Desulfovibrio vulgaris - Co-crystallized with Formate and Exposed to air for 2 h
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Formate dehydrogenase, ...
Authors:Vilela-Alves, G, Manuel, R.R, Pereira, I.C, Romao, M.J, Mota, C.
Deposit date:2023-12-06
Release date:2024-07-24
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Substrate-dependent oxidative inactivation of a W-dependent formate dehydrogenase involving selenocysteine displacement.
Chem Sci, 15, 2024
7MWM
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BU of 7mwm by Molmil
Crystal structure of MBD2 with DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*A)-R(P*(5MC))-D(P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION
Authors:Liu, K, Dong, A, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-05-17
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystal structure of MBD2 with DNA
To Be Published
7V57
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BU of 7v57 by Molmil
Structure of AdaV
Descriptor: 2-OXOGLUTARIC ACID, AdaV, CHLORIDE ION, ...
Authors:Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
5CJX
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BU of 5cjx by Molmil
Crystal structure of 8ANC195 Fab in complex with BG505 SOSIP.664 HIV-1 Env trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 G52K5 heavy chain, ...
Authors:Scharf, L, Bjorkman, P.J.
Deposit date:2015-07-15
Release date:2015-09-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.584 Å)
Cite:Broadly Neutralizing Antibody 8ANC195 Recognizes Closed and Open States of HIV-1 Env.
Cell, 162, 2015
8OXY
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BU of 8oxy by Molmil
Transglutaminase 3 without calcium in complex with DH patient-derived Fab DH63-B02
Descriptor: 1,2-ETHANEDIOL, Antibody fab fragment heavy chain, Antibody fab fragment light chain, ...
Authors:Heggelund, J.E, Sollid, L.M.
Deposit date:2023-05-02
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3.
Nat Commun, 14, 2023
5UDU
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BU of 5udu by Molmil
LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with manganese
Descriptor: Lactate racemization operon protein LarE, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Fellner, M, Desguin, B, Hausinger, R.P, Hu, J.
Deposit date:2016-12-28
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.792 Å)
Cite:Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7ZCZ
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BU of 7zcz by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 1-(4-chlorophenyl)methanamine
Descriptor: 1-(4-CHLOROPHENYL)METHANAMINE, Aspartate carbamoyltransferase, SODIUM ION, ...
Authors:Wang, C, Zhang, B.
Deposit date:2022-03-29
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
5GW1
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BU of 5gw1 by Molmil
Crystal structure of SNX16 PX-Coiled coil in space group P212121
Descriptor: Sorting nexin-16
Authors:Xu, J, Liu, J.
Deposit date:2016-09-08
Release date:2017-09-13
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:SNX16 Regulates the Recycling of E-Cadherin through a Unique Mechanism of Coordinated Membrane and Cargo Binding.
Structure, 25, 2017
8RFY
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BU of 8rfy by Molmil
High pH (8.0) as-isolated MSOX movie series dataset 30 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [12.3 MGy]
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ...
Authors:Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
Deposit date:2023-12-13
Release date:2024-07-24
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
6MK6
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BU of 6mk6 by Molmil
Carbapenemase VCC-1 from Vibrio cholerae N14-02106
Descriptor: Beta-lactamase
Authors:Mark, B.L, Vadlamani, G.
Deposit date:2018-09-25
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Basis for the Potent Inhibition of the Emerging Carbapenemase VCC-1 by Avibactam.
Antimicrob. Agents Chemother., 63, 2019
8RG8
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BU of 8rg8 by Molmil
High pH (8.0) nitrite-bound MSOX movie series dataset 1 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [0.68 MGy]
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
Authors:Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
Deposit date:2023-12-13
Release date:2024-07-24
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
8RU9
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BU of 8ru9 by Molmil
High pH (8.0) nitrite-bound MSOX movie series dataset 1 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [0.69 MGy]
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION, ...
Authors:Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2024-01-30
Release date:2024-07-24
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
7Z6W
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BU of 7z6w by Molmil
Complex of E. coli LolA and lipoprotein
Descriptor: Outer-membrane lipoprotein carrier protein, [(2~{S})-3-[(2~{S})-3-azanyl-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate
Authors:Kaplan, E, Greene, N.P, Koronakis, V.
Deposit date:2022-03-14
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural basis of lipoprotein recognition by the bacterial Lol trafficking chaperone LolA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8OXV
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BU of 8oxv by Molmil
Transglutaminase 3 zymogen in complex with DH patient-derived Fab DH63-B02
Descriptor: 1,2-ETHANEDIOL, Antibody Fab fragment Heavy chain, Antibody Fab fragment light chain, ...
Authors:Heggelund, J.E, Sollid, L.M.
Deposit date:2023-05-02
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3.
Nat Commun, 14, 2023
5CLT
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BU of 5clt by Molmil
Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose
Descriptor: 1,4-alpha-glucan-branching enzyme, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Krojer, T, Froese, D.S, Goubin, S, Strain-Damerell, C, Mahajan, P, Burgess-Brown, N, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W, Structural Genomics Consortium (SGC)
Deposit date:2015-07-16
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose
To be published
8RYJ
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BU of 8ryj by Molmil
High pH (8.0) nitrite-bound MSOX movie series dataset 3 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [2.07 MGy]
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION, ...
Authors:Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2024-02-08
Release date:2024-07-24
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
7PP7
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BU of 7pp7 by Molmil
Thunberia alata 16:0-ACP desaturase
Descriptor: Acyl-[acyl-carrier-protein] 6-desaturase, FE (III) ION
Authors:Guy, J.E, Whittle, E, Cai, Y, Chai, J, Lindqvist, Y, Shanklin, J.
Deposit date:2021-09-13
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Regioselectivity mechanism of the Thunbergia alata Delta 6-16:0-acyl carrier protein desaturase.
Plant Physiol., 188, 2022
8RST
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BU of 8rst by Molmil
Rap from bacteriophage Phi3T in presence of pheromone SRGHTS
Descriptor: Glycerol ethoxylate, Rap3T, SRGHTS, ...
Authors:Felipe-Ruiz, A, Zamora-Caballero, S, Marina, A.
Deposit date:2024-01-25
Release date:2024-07-24
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Extracellular proteolysis of tandemly duplicated pheromone propeptides affords additional complexity to bacterial quorum sensing.
Plos Biol., 22, 2024
8UW9
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BU of 8uw9 by Molmil
Structure of AKT1(E17K) with compound 4
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, N-({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)-2-(2-fluoro-4-formyl-3-hydroxyphenyl)acetamide, ...
Authors:Craven, G.B, Taunton, J.
Deposit date:2023-11-06
Release date:2024-09-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mutant-selective AKT1 inhibitors via lysine targeting and neo-zinc chelation
To Be Published
7V54
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BU of 7v54 by Molmil
Structure of AdaV
Descriptor: AdaV, FE (III) ION
Authors:Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
8OYL
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BU of 8oyl by Molmil
Coiled-Coil Domain of Human STIL, Q729L Mutant
Descriptor: CADMIUM ION, CHLORIDE ION, SCL-interrupting locus protein, ...
Authors:Martin, F.J.O, Shamir, M, Woolfson, D.N, Friedler, A.
Deposit date:2023-05-05
Release date:2023-10-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Molecular Mechanism of STIL Coiled-Coil Domain Oligomerization.
Int J Mol Sci, 24, 2023
8OYP
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BU of 8oyp by Molmil
Crystal structure of Ubiquitin specific protease 11 (USP11) in complex with a substrate mimetic
Descriptor: CADMIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Maurer, S.K, Caulton, S.G, Ward, S.J, Emsley, J, Dreveny, I.
Deposit date:2023-05-05
Release date:2023-10-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Ubiquitin-specific protease 11 structure in complex with an engineered substrate mimetic reveals a molecular feature for deubiquitination selectivity.
J.Biol.Chem., 299, 2023
8RTE
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BU of 8rte by Molmil
Rap from bacteriophage Phi105 with peptide ERPVGT
Descriptor: Peptide ERPVGT, Rap105
Authors:Felipe-Ruiz, A, Zamora-Caballero, S, Marina, A.
Deposit date:2024-01-25
Release date:2024-07-24
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Extracellular proteolysis of tandemly duplicated pheromone propeptides affords additional complexity to bacterial quorum sensing.
Plos Biol., 22, 2024
7N3G
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BU of 7n3g by Molmil
Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C098
Descriptor: C098 Fab Heavy Chain, C098 Fab Light Chain
Authors:Flyak, A.I, Bjorkman, P.J, Barnes, C.O.
Deposit date:2021-06-01
Release date:2021-08-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
8UPB
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BU of 8upb by Molmil
De novo designed IL-6 mimetic
Descriptor: De novo designed IL-6 mimetic
Authors:Borowska, M.T, Jude, K.M, Garcia, K.C.
Deposit date:2023-10-22
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:De novo design of miniprotein antagonists of cytokine storm inducers.
Nat Commun, 15, 2024

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PDB entries from 2024-10-30

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