6YVN
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![BU of 6yvn by Molmil](/molmil-images/mine/6yvn) | Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 2.84 MGy exposure | Descriptor: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | Authors: | Tittmann, K, Rindfleisch, S, Krull, M. | Deposit date: | 2020-04-28 | Release date: | 2021-11-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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7A43
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![BU of 7a43 by Molmil](/molmil-images/mine/7a43) | |
7A42
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![BU of 7a42 by Molmil](/molmil-images/mine/7a42) | |
7A45
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![BU of 7a45 by Molmil](/molmil-images/mine/7a45) | CO-bound sperm whale myoglobin measured by serial femtosecond crystallography | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Mehrabi, P, Schulz, E.C, Buecker, R. | Deposit date: | 2020-08-19 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison. Sci Adv, 7, 2021
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7A44
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![BU of 7a44 by Molmil](/molmil-images/mine/7a44) | CO-bound sperm whale myoglobin measured by serial synchrotron crystallography | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Mehrabi, P, Schulz, E.C, Buecker, R. | Deposit date: | 2020-08-19 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison. Sci Adv, 7, 2021
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6ZWZ
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![BU of 6zwz by Molmil](/molmil-images/mine/6zwz) | |
6ZX1
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![BU of 6zx1 by Molmil](/molmil-images/mine/6zx1) | OMPD-domain of human UMPS in complex with 6-Aza-UMP at 1.0 Angstroms resolution | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, PROLINE, SULFATE ION, ... | Authors: | Tittmann, K, Rindfleisch, S, Krull, M. | Deposit date: | 2020-07-29 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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6ZWY
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![BU of 6zwy by Molmil](/molmil-images/mine/6zwy) | |
6ZX3
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![BU of 6zx3 by Molmil](/molmil-images/mine/6zx3) | OMPD-domain of human UMPS in complex with 6-thiocarboxamido-UMP at 1.15 Angstroms resolution | Descriptor: | GLYCEROL, PROLINE, SULFATE ION, ... | Authors: | Tittmann, K, Rindfleisch, S, Schimdt, T. | Deposit date: | 2020-07-29 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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6ZX0
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![BU of 6zx0 by Molmil](/molmil-images/mine/6zx0) | OMPD-domain of human UMPS in complex with the substrate OMP at 1.25 Angstroms resolution | Descriptor: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | Authors: | Tittmann, K, Rindfleisch, S, Krull, M. | Deposit date: | 2020-07-29 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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6ZX2
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![BU of 6zx2 by Molmil](/molmil-images/mine/6zx2) | OMPD-domain of human UMPS in complex with 6-carboxamido-UMP at 1.2 Angstroms resolution | Descriptor: | PROLINE, SULFATE ION, Uridine 5'-monophosphate synthase, ... | Authors: | Tittmann, K, Rindfleisch, S, Schimdt, T. | Deposit date: | 2020-07-29 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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6Y1L
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![BU of 6y1l by Molmil](/molmil-images/mine/6y1l) | Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - L47R mutant | Descriptor: | DIETHYL PHOSPHONATE, FAB A.17 L47R mutant HEAVY CHAIN, FAB A.17 L47R mutant Light CHAIN, ... | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-12 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y49
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![BU of 6y49 by Molmil](/molmil-images/mine/6y49) | Crystal structure of the paraoxon-modified A.17kappa antibody FAB fragment | Descriptor: | A.17kappa antibody FAB fragment - Heavy Chain, A.17kappa antibody FAB fragment - Light Chain, DIETHYL PHOSPHONATE | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-19 | Release date: | 2020-09-16 | Last modified: | 2020-09-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y1N
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![BU of 6y1n by Molmil](/molmil-images/mine/6y1n) | Crystal structure of the phosphonate-modified A.5 antibody FAB fragment | Descriptor: | 8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL PHENYLPHOSPHONATE, FAB A.5 Heavy chain, FAB A.5 Light Chain | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-12 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y1K
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![BU of 6y1k by Molmil](/molmil-images/mine/6y1k) | Crystal structure of the unmodified A.17 antibody FAB fragment - L47R mutant | Descriptor: | FAB A.17 L47R mutant Heavy Chain, FAB A.17 L47R mutant Light Chain | Authors: | Chatziefthimiou, S, Stepanova, A, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-12 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y1M
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![BU of 6y1m by Molmil](/molmil-images/mine/6y1m) | Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - L47K mutant | Descriptor: | DIETHYL PHOSPHONATE, FAB A.17 L47K mutant HEAVY CHAIN, FAB A.17 L47K mutant Light CHAIN | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-12 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
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7AM9
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![BU of 7am9 by Molmil](/molmil-images/mine/7am9) | OMPD-domain of human UMPS in complex with the substrate OMP at 0.99 Angstroms resolution | Descriptor: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | Authors: | Tittmann, K, Rindfleisch, S, Krull, M. | Deposit date: | 2020-10-08 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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7ASQ
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![BU of 7asq by Molmil](/molmil-images/mine/7asq) | |
6YWU
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![BU of 6ywu by Molmil](/molmil-images/mine/6ywu) | Human OMPD-domain of UMPS (K314AcK) in complex with UMP at 1.1 Angstroms resolution | Descriptor: | GLYCEROL, SULFATE ION, URIDINE-5'-MONOPHOSPHATE, ... | Authors: | Tittmann, K, Rindfleisch, S, Krull, M. | Deposit date: | 2020-04-30 | Release date: | 2022-02-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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6YWT
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![BU of 6ywt by Molmil](/molmil-images/mine/6ywt) | |
6YVO
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![BU of 6yvo by Molmil](/molmil-images/mine/6yvo) | Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 3.55 MGy exposure | Descriptor: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | Authors: | Tittmann, K, Rindfleisch, S, Krull, M. | Deposit date: | 2020-04-28 | Release date: | 2022-02-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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8OM6
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![BU of 8om6 by Molmil](/molmil-images/mine/8om6) | |
8R5R
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![BU of 8r5r by Molmil](/molmil-images/mine/8r5r) | Structure of apo TDO with a bound inhibitor | Descriptor: | 3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline, Tryptophan 2,3-dioxygenase, alpha-methyl-L-tryptophan | Authors: | Wicki, M, Mac Sweeney, A. | Deposit date: | 2023-11-17 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.078 Å) | Cite: | Discovery and binding mode of a small molecule inhibitor of the apo form of human TDO2 Biorxiv, 2024
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8QV7
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![BU of 8qv7 by Molmil](/molmil-images/mine/8qv7) | |
8R5Q
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![BU of 8r5q by Molmil](/molmil-images/mine/8r5q) | Structure of apo TDO with a bound inhibitor | Descriptor: | 3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline, Tryptophan 2,3-dioxygenase, alpha-methyl-L-tryptophan | Authors: | Wicki, M, Mac Sweeney, A. | Deposit date: | 2023-11-17 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Discovery and binding mode of a small molecule inhibitor of the apo form of human TDO2 Biorxiv, 2024
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